3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine

C17H27N — CID 64502784

IUPAC3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
SMILESCCC1CCCCC1CCC(N)c1ccccc1
InChIInChI=1S/C17H27N/c1-2-14-8-6-7-9-15(14)12-13-17(18)16-10-4-3-5-11-16/h3-5,10-11,14-15,17H,2,6-9,12-13,18H2,1H3
InChIKeyFJSBTJZTHZCYGT-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine

3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine (PubChem CID 64502784) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
PubChem CID64502784
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
SMILESCCC1CCCCC1CCC(N)c1ccccc1
InChIInChI=1S/C17H27N/c1-2-14-8-6-7-9-15(14)12-13-17(18)16-10-4-3-5-11-16/h3-5,10-11,14-15,17H,2,6-9,12-13,18H2,1H3
InChIKeyFJSBTJZTHZCYGT-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylcyclohexyl)-1-phenylethanamine
CID 81013913
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
3-(3-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64505370
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
CID 114108419
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(2-ethylcyclohexyl)-(1-phenylcyclobutyl)methanamine
CID 63862737
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine (CID 64502784) is 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine is CCC1CCCCC1CCC(N)c1ccccc1.
What is the InChIKey of 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine?
The InChIKey is FJSBTJZTHZCYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-14-8-6-7-9-15(14)12-13-17(18)16-10-4-3-5-11-16/h3-5,10-11,14-15,17H,2,6-9,12-13,18H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine?
3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 64502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).