N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine

C16H15ClF3N — CID 43495680

IUPACN-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-7-21-16(12-5-3-11(19)9-14(12)17)13-8-10(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeySFVUGVJIYDBUGH-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.85
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine (PubChem CID 43495680) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
PubChem CID43495680
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-7-21-16(12-5-3-11(19)9-14(12)17)13-8-10(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeySFVUGVJIYDBUGH-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine (CID 43495680) is N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine?
The InChIKey is SFVUGVJIYDBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-7-21-16(12-5-3-11(19)9-14(12)17)13-8-10(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine has a molecular weight of 313.75 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).