(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine

C16H25N — CID 65410620

IUPAC(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
SMILESCCC1CCC(C(N)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H25N/c1-4-13-7-8-14(10-13)16(17)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3
InChIKeyKXJHBVSHCBPPTC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.13
Rot. Bonds3

About (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine

(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine (PubChem CID 65410620) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
PubChem CID65410620
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
SMILESCCC1CCC(C(N)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H25N/c1-4-13-7-8-14(10-13)16(17)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3
InChIKeyKXJHBVSHCBPPTC-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 43198556
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine (CID 65410620) is (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine is CCC1CCC(C(N)c2cc(C)ccc2C)C1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine?
The InChIKey is KXJHBVSHCBPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13-7-8-14(10-13)16(17)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10,17H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine?
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine is sourced from PubChem (CID 65410620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).