N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine

C19H22ClN — CID 43677527

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
SMILESCC(Cc1ccccc1Cl)NC1CC(c2ccccc2)C1
InChIInChI=1S/C19H22ClN/c1-14(11-16-9-5-6-10-19(16)20)21-18-12-17(13-18)15-7-3-2-4-8-15/h2-10,14,17-18,21H,11-13H2,1H3
InChIKeyUCFXZHKPRBBREZ-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine

N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine (PubChem CID 43677527) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
PubChem CID43677527
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
SMILESCC(Cc1ccccc1Cl)NC1CC(c2ccccc2)C1
InChIInChI=1S/C19H22ClN/c1-14(11-16-9-5-6-10-19(16)20)21-18-12-17(13-18)15-7-3-2-4-8-15/h2-10,14,17-18,21H,11-13H2,1H3
InChIKeyUCFXZHKPRBBREZ-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
5-chloro-N-[1-(2-chlorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 115348779
3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine (CID 43677527) is N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine is CC(Cc1ccccc1Cl)NC1CC(c2ccccc2)C1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine?
The InChIKey is UCFXZHKPRBBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14(11-16-9-5-6-10-19(16)20)21-18-12-17(13-18)15-7-3-2-4-8-15/h2-10,14,17-18,21H,11-13H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 43677527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).