2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol

C18H27NO — CID 106508625

IUPAC2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H27NO/c1-13-2-6-17(7-3-13)18(11-19,12-20)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,20H,4-5,8-12,19H2,1H3
InChIKeyNGFHTYMAALFXPM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.01
Rot. Bonds5

About 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 106508625) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID106508625
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H27NO/c1-13-2-6-17(7-3-13)18(11-19,12-20)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,20H,4-5,8-12,19H2,1H3
InChIKeyNGFHTYMAALFXPM-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506969
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-(4-chlorophenyl)propane-1,3-diol
CID 79550111
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 106508573
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
CID 79550468
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
CID 79558859
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549764
2-(aminomethyl)-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-ol
CID 106730839
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(aminomethyl)-4-methoxy-2-(4-methylphenyl)pentan-1-ol
CID 106508650

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol (CID 106508625) is 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)(CO)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is NGFHTYMAALFXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-2-6-17(7-3-13)18(11-19,12-20)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,20H,4-5,8-12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106508625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).