(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol

C19H29NO2 — CID 124768112

IUPAC(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H29NO2/c1-13-4-3-5-18(8-13)22-12-17(21)11-20-14(2)19-10-15-6-7-16(19)9-15/h3-5,8,14-17,19-21H,6-7,9-12H2,1-2H3/t14-,15-,16-,17+,19+/m0/s1
InChIKeyBDHQHVKEOGPBOF-YTGMWSOZSA-N
MW303.45 g/mol
LogP3.15
Rot. Bonds7

About (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol

(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 124768112) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID124768112
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H29NO2/c1-13-4-3-5-18(8-13)22-12-17(21)11-20-14(2)19-10-15-6-7-16(19)9-15/h3-5,8,14-17,19-21H,6-7,9-12H2,1-2H3/t14-,15-,16-,17+,19+/m0/s1
InChIKeyBDHQHVKEOGPBOF-YTGMWSOZSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 124768110
(2S)-1-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 100798877
4-[(2S)-3-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 124720750
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 124768306
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98285003
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60635607
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60635528
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol (CID 124768112) is (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1.
What is the InChIKey of (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is BDHQHVKEOGPBOF-YTGMWSOZSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13-4-3-5-18(8-13)22-12-17(21)11-20-14(2)19-10-15-6-7-16(19)9-15/h3-5,8,14-17,19-21H,6-7,9-12H2,1-2H3/t14-,15-,16-,17+,19+/m0/s1.
What are the key properties of (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol?
(2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 124768112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).