(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol

C16H25NO — CID 101266753

IUPAC(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol
SMILESCCC[C@@H]1C[C@@H]1CN(C)[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-7-14-10-15(14)11-17(2)16(12-18)13-8-5-4-6-9-13/h4-6,8-9,14-16,18H,3,7,10-12H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyOQWCOTKPTWPXNU-BZUAXINKSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds7

About (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol

(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol (PubChem CID 101266753) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol
PubChem CID101266753
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol
SMILESCCC[C@@H]1C[C@@H]1CN(C)[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-7-14-10-15(14)11-17(2)16(12-18)13-8-5-4-6-9-13/h4-6,8-9,14-16,18H,3,7,10-12H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyOQWCOTKPTWPXNU-BZUAXINKSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
(2R)-2-[amino(methyl)amino]-2-phenylethanol
CID 11693961
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 11748505
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
CID 77104932
2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
CID 110192818
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
2-[(4,4-dimethylcyclohexyl)methyl-methylamino]-2-(3-fluorophenyl)ethanol
CID 166343238
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol (CID 101266753) is (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol is CCC[C@@H]1C[C@@H]1CN(C)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol?
The InChIKey is OQWCOTKPTWPXNU-BZUAXINKSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-7-14-10-15(14)11-17(2)16(12-18)13-8-5-4-6-9-13/h4-6,8-9,14-16,18H,3,7,10-12H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol?
(2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[[(1S,2R)-2-propylcyclopropyl]methyl]amino]-2-phenylethanol is sourced from PubChem (CID 101266753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).