1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol

C16H25NO — CID 117371859

IUPAC1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(18)11-14-5-7-15(8-6-14)16(12-17)9-3-2-4-10-16/h5-8,13,18H,2-4,9-12,17H2,1H3
InChIKeyHAFBMGWPOSYQGF-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.77
Rot. Bonds4

About 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol

1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol (PubChem CID 117371859) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
PubChem CID117371859
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2(CN)CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(18)11-14-5-7-15(8-6-14)16(12-17)9-3-2-4-10-16/h5-8,13,18H,2-4,9-12,17H2,1H3
InChIKeyHAFBMGWPOSYQGF-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[4-[1-(aminomethyl)cyclohexyl]phenyl]boronic acid
CID 82070647
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
1-[4-[1-(aminomethyl)cyclobutyl]phenyl]ethane-1,2-diol
CID 117316559
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol (CID 117371859) is 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol is CC(O)Cc1ccc(C2(CN)CCCCC2)cc1.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
The InChIKey is HAFBMGWPOSYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18)11-14-5-7-15(8-6-14)16(12-17)9-3-2-4-10-16/h5-8,13,18H,2-4,9-12,17H2,1H3.
What are the key properties of 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol?
1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol is sourced from PubChem (CID 117371859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).