N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

C17H27ClN2 — CID 80995922

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3
InChIKeyOESFWGQIRKAURF-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (PubChem CID 80995922) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
PubChem CID80995922
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3
InChIKeyOESFWGQIRKAURF-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]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

N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80996129
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclobutan-1-amine
CID 80996130
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55069085
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (CID 80995922) is N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is CC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The InChIKey is OESFWGQIRKAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80995922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).