N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine

C19H31NO — CID 63450652

IUPACN-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)14-21-19-10-8-18(9-11-19)16(3)20-13-12-17-6-4-5-7-17/h8-11,15-17,20H,4-7,12-14H2,1-3H3
InChIKeySYGHDOJRBALIKN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds8

About N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine

N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 63450652) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID63450652
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NCCC2CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)14-21-19-10-8-18(9-11-19)16(3)20-13-12-17-6-4-5-7-17/h8-11,15-17,20H,4-7,12-14H2,1-3H3
InChIKeySYGHDOJRBALIKN-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine (CID 63450652) is N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine is CC(C)COc1ccc(C(C)NCCC2CCCC2)cc1.
What is the InChIKey of N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is SYGHDOJRBALIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)14-21-19-10-8-18(9-11-19)16(3)20-13-12-17-6-4-5-7-17/h8-11,15-17,20H,4-7,12-14H2,1-3H3.
What are the key properties of N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 63450652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).