1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine

C18H29N — CID 145339871

IUPAC1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(CCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N/c1-3-18(19)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,16-18H,3,8-13,19H2,1-2H3
InChIKeyDGCMHGPUKBUFEJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine

1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine (PubChem CID 145339871) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
PubChem CID145339871
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(CCc2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N/c1-3-18(19)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,16-18H,3,8-13,19H2,1-2H3
InChIKeyDGCMHGPUKBUFEJ-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
CID 156895542
1-cyclopropyl-5-(4-methylphenyl)pentan-3-ol
CID 105105823
[1-cyclopropyl-5-(4-methylphenyl)pentan-3-yl]hydrazine
CID 105315029
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine (CID 145339871) is 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine is CCC(N)C1CCC(CCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine?
The InChIKey is DGCMHGPUKBUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-18(19)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,16-18H,3,8-13,19H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine?
1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 145339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).