N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

C15H14ClF2N — CID 43490220

IUPACN-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyNQTSLOXSXMNEDS-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.32
Rot. Bonds4

About N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43490220) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43490220
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyNQTSLOXSXMNEDS-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 54967436
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (CID 43490220) is N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is NQTSLOXSXMNEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-2-19-15(10-4-3-5-11(16)8-10)13-9-12(17)6-7-14(13)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).