1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine

C17H27N — CID 55187144

IUPAC1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-5-15-8-10-17(18,11-9-15)16-7-6-13(2)14(3)12-16/h6-7,12,15H,4-5,8-11,18H2,1-3H3
InChIKeySGSMBVAHNPHNJM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.45
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine

1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine (PubChem CID 55187144) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
PubChem CID55187144
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-5-15-8-10-17(18,11-9-15)16-7-6-13(2)14(3)12-16/h6-7,12,15H,4-5,8-11,18H2,1-3H3
InChIKeySGSMBVAHNPHNJM-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-methyl-3-pyridinyl)-4-propylcyclohexan-1-amine
CID 63156082
1-naphthalen-2-yl-4-propylcycloheptan-1-amine
CID 65086646
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
4-propyl-1-thiophen-3-ylcycloheptan-1-amine
CID 65100099
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
4-ethyl-1-naphthalen-2-ylcyclohexan-1-amine
CID 63407775
1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 55186767
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
4-ethyl-1-naphthalen-2-ylcycloheptan-1-amine
CID 65082731

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine (CID 55187144) is 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine?
The InChIKey is SGSMBVAHNPHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-5-15-8-10-17(18,11-9-15)16-7-6-13(2)14(3)12-16/h6-7,12,15H,4-5,8-11,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine?
1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55187144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).