1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H20ClFN2 — CID 105416512

IUPAC1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C14H20ClFN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(16)8-13(11)15/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyVLNCVPDDKUVRPT-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds5

About 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416512) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416512
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C14H20ClFN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(16)8-13(11)15/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyVLNCVPDDKUVRPT-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-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

1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102615902
1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115967895
1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 113321743
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416512) is 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCc2ccc(F)cc2Cl)CCC1.
What is the InChIKey of 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is VLNCVPDDKUVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(16)8-13(11)15/h4-5,8,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).