[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol

C19H31NO — CID 79126348

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17,21H,9-13,20H2,1-4H3
InChIKeyOFUPOVPCYGKMGB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.17
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol (PubChem CID 79126348) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
PubChem CID79126348
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17,21H,9-13,20H2,1-4H3
InChIKeyOFUPOVPCYGKMGB-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol (CID 79126348) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol is CC1CCC(CN)(C(O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol?
The InChIKey is OFUPOVPCYGKMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17,21H,9-13,20H2,1-4H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol has a molecular weight of 289.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol is sourced from PubChem (CID 79126348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).