(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol

C18H25NO — CID 107860728

IUPAC(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C18H25NO/c1-13(18-11-15-7-8-16(18)9-15)19-17(12-20)10-14-5-3-2-4-6-14/h2-8,13,15-20H,9-12H2,1H3/t13?,15?,16?,17-,18?/m1/s1
InChIKeyTWGLSQCDHMXFSZ-FCWBMGTOSA-N
MW271.40 g/mol
LogP2.78
Rot. Bonds6

About (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol

(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 107860728) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID107860728
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C18H25NO/c1-13(18-11-15-7-8-16(18)9-15)19-17(12-20)10-14-5-3-2-4-6-14/h2-8,13,15-20H,9-12H2,1H3/t13?,15?,16?,17-,18?/m1/s1
InChIKeyTWGLSQCDHMXFSZ-FCWBMGTOSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 62995231
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787
N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
CID 60972445
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
CID 43784498
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106349050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol (CID 107860728) is (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol is CC(N[C@@H](CO)Cc1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is TWGLSQCDHMXFSZ-FCWBMGTOSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(18-11-15-7-8-16(18)9-15)19-17(12-20)10-14-5-3-2-4-6-14/h2-8,13,15-20H,9-12H2,1H3/t13?,15?,16?,17-,18?/m1/s1.
What are the key properties of (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol?
(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107860728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).