(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine

C17H27NO — CID 65423601

IUPAC(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCOc1ccccc1C(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-12(2)13-8-10-14(11-9-13)17(18)15-6-4-5-7-16(15)19-3/h4-7,12-14,17H,8-11,18H2,1-3H3
InChIKeyAXLLUQUZWOANLH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds4

About (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine

(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65423601) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65423601
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCOc1ccccc1C(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-12(2)13-8-10-14(11-9-13)17(18)15-6-4-5-7-16(15)19-3/h4-7,12-14,17H,8-11,18H2,1-3H3
InChIKeyAXLLUQUZWOANLH-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine (CID 65423601) is (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine is COc1ccccc1C(N)C1CCC(C(C)C)CC1.
What is the InChIKey of (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is AXLLUQUZWOANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)13-8-10-14(11-9-13)17(18)15-6-4-5-7-16(15)19-3/h4-7,12-14,17H,8-11,18H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65423601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).