2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine

C17H27N — CID 64909011

IUPAC2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(C)cc2)C1C
InChIInChI=1S/C17H27N/c1-4-11-18-17-10-9-16(14(17)3)12-15-7-5-13(2)6-8-15/h5-8,14,16-18H,4,9-12H2,1-3H3
InChIKeyHRELNHBSGHCRIX-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds5

About 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine

2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 64909011) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
PubChem CID64909011
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(C)cc2)C1C
InChIInChI=1S/C17H27N/c1-4-11-18-17-10-9-16(14(17)3)12-15-7-5-13(2)6-8-15/h5-8,14,16-18H,4,9-12H2,1-3H3
InChIKeyHRELNHBSGHCRIX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
CID 65443445
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910526
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63403450
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 115334747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine (CID 64909011) is 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccc(C)cc2)C1C.
What is the InChIKey of 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is HRELNHBSGHCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-11-18-17-10-9-16(14(17)3)12-15-7-5-13(2)6-8-15/h5-8,14,16-18H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine?
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64909011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).