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

C18H29NO — CID 43370779

IUPACN-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)13-20-18-10-8-17(9-11-18)15(3)19-12-16-6-4-5-7-16/h8-11,14-16,19H,4-7,12-13H2,1-3H3
InChIKeyUPKPFJKSCSJFNV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.56
Rot. Bonds7

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

N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 43370779) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID43370779
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)13-20-18-10-8-17(9-11-18)15(3)19-12-16-6-4-5-7-16/h8-11,14-16,19H,4-7,12-13H2,1-3H3
InChIKeyUPKPFJKSCSJFNV-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(cyclohexylmethyl)-1-[4-(2-ethoxyethoxy)phenyl]ethanamine
CID 54804421
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine (CID 43370779) is N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine is CC(C)COc1ccc(C(C)NCC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is UPKPFJKSCSJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)13-20-18-10-8-17(9-11-18)15(3)19-12-16-6-4-5-7-16/h8-11,14-16,19H,4-7,12-13H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine?
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 43370779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).