2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine

C16H25N — CID 55110608

IUPAC2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CC1CCCC1)c1ccccc1C
InChIInChI=1S/C16H25N/c1-3-17-16(12-14-9-5-6-10-14)15-11-7-4-8-13(15)2/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3
InChIKeySGHNLLKDISGMGY-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.23
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine

2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 55110608) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID55110608
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CC1CCCC1)c1ccccc1C
InChIInChI=1S/C16H25N/c1-3-17-16(12-14-9-5-6-10-14)15-11-7-4-8-13(15)2/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3
InChIKeySGHNLLKDISGMGY-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine (CID 55110608) is 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(CC1CCCC1)c1ccccc1C.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is SGHNLLKDISGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-17-16(12-14-9-5-6-10-14)15-11-7-4-8-13(15)2/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine?
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 55110608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).