[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol

C18H27NO — CID 79984227

IUPAC[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C18H27NO/c1-14-8-10-18(13-20,11-9-14)19-12-15-2-4-16(5-3-15)17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3
InChIKeyZROUACDSSQIGBX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.59
Rot. Bonds5

About [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 79984227) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID79984227
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C18H27NO/c1-14-8-10-18(13-20,11-9-14)19-12-15-2-4-16(5-3-15)17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3
InChIKeyZROUACDSSQIGBX-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol (CID 79984227) is [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCc2ccc(C3CC3)cc2)CC1.
What is the InChIKey of [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is ZROUACDSSQIGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-8-10-18(13-20,11-9-14)19-12-15-2-4-16(5-3-15)17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3.
What are the key properties of [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 273.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 79984227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).