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

C17H27N — CID 65424560

IUPAC(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N/c1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15/h4-7,12,14,16-17H,8-11,18H2,1-3H3
InChIKeyGGHIUEFBLPIEOG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.46
Rot. Bonds3

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

(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65424560) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65424560
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N/c1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15/h4-7,12,14,16-17H,8-11,18H2,1-3H3
InChIKeyGGHIUEFBLPIEOG-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 115374663
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
cyclopropyl-[4-(4-methylphenyl)phenyl]methanol
CID 175668827
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine (CID 65424560) is (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine is Cc1ccc(C(N)C2CCC(C(C)C)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is GGHIUEFBLPIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15/h4-7,12,14,16-17H,8-11,18H2,1-3H3.
What are the key properties of (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65424560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).