2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine

C17H27N — CID 65410217

IUPAC2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H27N/c1-4-14-7-8-15(10-14)17(18)11-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11,18H2,1-3H3
InChIKeyWOCJMNHDQOUPNR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine

2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine (PubChem CID 65410217) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
PubChem CID65410217
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
SMILESCCC1CCC(C(N)Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H27N/c1-4-14-7-8-15(10-14)17(18)11-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11,18H2,1-3H3
InChIKeyWOCJMNHDQOUPNR-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine (CID 65410217) is 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine is CCC1CCC(C(N)Cc2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine?
The InChIKey is WOCJMNHDQOUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-7-8-15(10-14)17(18)11-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine?
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine is sourced from PubChem (CID 65410217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).