2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine

C17H27N — CID 55185583

IUPAC2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-3-12-18-17-7-5-4-6-16(17)13-15-10-8-14(2)9-11-15/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyCDBSHPDDLNIDOF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.10
Rot. Bonds5

About 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine

2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 55185583) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID55185583
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-3-12-18-17-7-5-4-6-16(17)13-15-10-8-14(2)9-11-15/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyCDBSHPDDLNIDOF-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine (CID 55185583) is 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is CDBSHPDDLNIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-12-18-17-7-5-4-6-16(17)13-15-10-8-14(2)9-11-15/h8-11,16-18H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 55185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).