N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine

C17H18Cl2FN — CID 81268303

IUPACN-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-3-8-21-17(14-6-5-13(20)9-11(14)2)15-10-12(18)4-7-16(15)19/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyGCBVUKNTNOATPW-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.53
Rot. Bonds5

About N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine

N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 81268303) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID81268303
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-3-8-21-17(14-6-5-13(20)9-11(14)2)15-10-12(18)4-7-16(15)19/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyGCBVUKNTNOATPW-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 81268303) is N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is GCBVUKNTNOATPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-8-21-17(14-6-5-13(20)9-11(14)2)15-10-12(18)4-7-16(15)19/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81268303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).