N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine

C18H27NO — CID 81395845

IUPACN-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(N[C@H](C)C3CCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-13(14-5-3-4-6-14)19-17-11-16(12-17)15-7-9-18(20-2)10-8-15/h7-10,13-14,16-17,19H,3-6,11-12H2,1-2H3/t13-,16?,17?/m1/s1
InChIKeyBTGBZCDLYKKXER-NVPAJSRCSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds5

About N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine

N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine (PubChem CID 81395845) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
PubChem CID81395845
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(N[C@H](C)C3CCCC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-13(14-5-3-4-6-14)19-17-11-16(12-17)15-7-9-18(20-2)10-8-15/h7-10,13-14,16-17,19H,3-6,11-12H2,1-2H3/t13-,16?,17?/m1/s1
InChIKeyBTGBZCDLYKKXER-NVPAJSRCSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-N-[(1R)-1-cycloheptylethyl]cyclobutan-1-amine
CID 81390863
3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
CID 81384574
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 106209304
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine (CID 81395845) is N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine is COc1ccc(C2CC(N[C@H](C)C3CCCC3)C2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is BTGBZCDLYKKXER-NVPAJSRCSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(14-5-3-4-6-14)19-17-11-16(12-17)15-7-9-18(20-2)10-8-15/h7-10,13-14,16-17,19H,3-6,11-12H2,1-2H3/t13-,16?,17?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine?
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81395845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).