2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine

C17H27NO — CID 81014847

IUPAC2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(C)cc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C17H27NO/c1-11(2)13-6-7-16(18)14(10-13)15-9-12(3)5-8-17(15)19-4/h5,8-9,11,13-14,16H,6-7,10,18H2,1-4H3
InChIKeyKESNZBIQABVJQP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine

2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81014847) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81014847
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(C)cc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C17H27NO/c1-11(2)13-6-7-16(18)14(10-13)15-9-12(3)5-8-17(15)19-4/h5,8-9,11,13-14,16H,6-7,10,18H2,1-4H3
InChIKeyKESNZBIQABVJQP-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine (CID 81014847) is 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine is COc1ccc(C)cc1C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KESNZBIQABVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)13-6-7-16(18)14(10-13)15-9-12(3)5-8-17(15)19-4/h5,8-9,11,13-14,16H,6-7,10,18H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81014847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).