N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine

C16H15Cl2F2N — CID 107561868

IUPACN-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-3-21-16(10-5-4-9(2)12(17)6-10)11-7-15(20)13(18)8-14(11)19/h4-8,16,21H,3H2,1-2H3
InChIKeyIHOAXWXMWBEQRV-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.28
Rot. Bonds4

About N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine

N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine (PubChem CID 107561868) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
PubChem CID107561868
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC NameN-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-3-21-16(10-5-4-9(2)12(17)6-10)11-7-15(20)13(18)8-14(11)19/h4-8,16,21H,3H2,1-2H3
InChIKeyIHOAXWXMWBEQRV-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine 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-[(4-chloro-2,5-difluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 82782197
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852524
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3-chloro-4-iodophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302706
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(4-bromo-3-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methyl]ethanamine
CID 81291036
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine (CID 107561868) is N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine?
The InChIKey is IHOAXWXMWBEQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-3-21-16(10-5-4-9(2)12(17)6-10)11-7-15(20)13(18)8-14(11)19/h4-8,16,21H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine?
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107561868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).