[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol

C16H25NO — CID 79138054

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2(CN)CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)15(18)16(11-17)8-4-6-13(2)10-16/h3,5,7,9,13,15,18H,4,6,8,10-11,17H2,1-2H3
InChIKeyXFNIVHCNTMOPJF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.18
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol (PubChem CID 79138054) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
PubChem CID79138054
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2(CN)CCCC(C)C2)c1
InChIInChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)15(18)16(11-17)8-4-6-13(2)10-16/h3,5,7,9,13,15,18H,4,6,8,10-11,17H2,1-2H3
InChIKeyXFNIVHCNTMOPJF-UHFFFAOYSA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79074534
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79976714

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol (CID 79138054) is [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol is Cc1cccc(C(O)C2(CN)CCCC(C)C2)c1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The InChIKey is XFNIVHCNTMOPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-3-7-14(9-12)15(18)16(11-17)8-4-6-13(2)10-16/h3,5,7,9,13,15,18H,4,6,8,10-11,17H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol is sourced from PubChem (CID 79138054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).