2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol

C17H27NO — CID 117113422

IUPAC2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,13-19)14-7-6-8-15(11-14)17(12-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyKHQLORLOQKMZQJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.12
Rot. Bonds4

About 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol

2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol (PubChem CID 117113422) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
PubChem CID117113422
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-16(2,13-19)14-7-6-8-15(11-14)17(12-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyKHQLORLOQKMZQJ-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
CID 117112780
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
2-[3-(1-isocyanatocyclopropyl)phenyl]-2-methylpropan-1-ol
CID 117112521
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
CID 117408462
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol (CID 117113422) is 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cccc(C2(CN)CCCCC2)c1.
What is the InChIKey of 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol?
The InChIKey is KHQLORLOQKMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,13-19)14-7-6-8-15(11-14)17(12-18)9-4-3-5-10-17/h6-8,11,19H,3-5,9-10,12-13,18H2,1-2H3.
What are the key properties of 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol?
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117113422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).