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

C17H27N — CID 61382239

IUPAC2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccccc1C
InChIInChI=1S/C17H27N/c1-3-12-18-17-11-7-6-10-16(17)13-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3
InChIKeyNTNNFQJJHBBGAK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.10
Rot. Bonds5

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

2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 61382239) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID61382239
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1ccccc1C
InChIInChI=1S/C17H27N/c1-3-12-18-17-11-7-6-10-16(17)13-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3
InChIKeyNTNNFQJJHBBGAK-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

N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-(aminomethyl)-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79763759
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine (CID 61382239) is 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1ccccc1C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is NTNNFQJJHBBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-12-18-17-11-7-6-10-16(17)13-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(2-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-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 61382239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).