[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol

C19H31NO — CID 79123649

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2(CN)CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C19H31NO/c1-13-10-14(2)16(15(3)11-13)17(21)19(12-20)8-6-18(4,5)7-9-19/h10-11,17,21H,6-9,12,20H2,1-5H3
InChIKeyKFISTJOFMQRNEX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.19
Rot. Bonds3

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol (PubChem CID 79123649) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol
PubChem CID79123649
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2(CN)CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C19H31NO/c1-13-10-14(2)16(15(3)11-13)17(21)19(12-20)8-6-18(4,5)7-9-19/h10-11,17,21H,6-9,12,20H2,1-5H3
InChIKeyKFISTJOFMQRNEX-UHFFFAOYSA-N
XLogP4.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3,5-dimethylphenyl)methanol
CID 79137995
[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(2,4,6-trimethylphenyl)methanol
CID 115338512
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
CID 79138945
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(5-bromofuran-2-yl)methanol
CID 79135610
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-chloro-4-methoxyphenyl)methanol
CID 79123439
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
CID 79126013
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
(1-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanamine
CID 82282690

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol (CID 79123649) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2(CN)CCC(C)(C)CC2)c(C)c1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol?
The InChIKey is KFISTJOFMQRNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-10-14(2)16(15(3)11-13)17(21)19(12-20)8-6-18(4,5)7-9-19/h10-11,17,21H,6-9,12,20H2,1-5H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol has a molecular weight of 289.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 79123649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).