2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine

C17H27N — CID 117366374

IUPAC2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCC1CCC(c2cccc(CC(C)(C)N)c2)CC1
InChIInChI=1S/C17H27N/c1-13-7-9-15(10-8-13)16-6-4-5-14(11-16)12-17(2,3)18/h4-6,11,13,15H,7-10,12,18H2,1-3H3
InChIKeyURNIVNKNYPAUDD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds3

About 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine

2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine (PubChem CID 117366374) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
PubChem CID117366374
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCC1CCC(c2cccc(CC(C)(C)N)c2)CC1
InChIInChI=1S/C17H27N/c1-13-7-9-15(10-8-13)16-6-4-5-14(11-16)12-17(2,3)18/h4-6,11,13,15H,7-10,12,18H2,1-3H3
InChIKeyURNIVNKNYPAUDD-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
2-methyl-1-[2-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366373
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
(3-cyclopropylphenyl)methanethiol
CID 79977406
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79984527
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
CID 156722104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine (CID 117366374) is 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine is CC1CCC(c2cccc(CC(C)(C)N)c2)CC1.
What is the InChIKey of 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine?
The InChIKey is URNIVNKNYPAUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-7-9-15(10-8-13)16-6-4-5-14(11-16)12-17(2,3)18/h4-6,11,13,15H,7-10,12,18H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine?
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine is sourced from PubChem (CID 117366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).