2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine

C15H23N — CID 170100233

IUPAC2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCc1cc(CC2CCCC2N)ccc1C
InChIInChI=1S/C15H23N/c1-3-13-9-12(8-7-11(13)2)10-14-5-4-6-15(14)16/h7-9,14-15H,3-6,10,16H2,1-2H3
InChIKeyRMANRMFCYDMUIH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.23
Rot. Bonds3

About 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine

2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 170100233) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID170100233
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCc1cc(CC2CCCC2N)ccc1C
InChIInChI=1S/C15H23N/c1-3-13-9-12(8-7-11(13)2)10-14-5-4-6-15(14)16/h7-9,14-15H,3-6,10,16H2,1-2H3
InChIKeyRMANRMFCYDMUIH-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine (CID 170100233) is 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine is CCc1cc(CC2CCCC2N)ccc1C.
What is the InChIKey of 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is RMANRMFCYDMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-13-9-12(8-7-11(13)2)10-14-5-4-6-15(14)16/h7-9,14-15H,3-6,10,16H2,1-2H3.
What are the key properties of 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine?
2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 170100233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).