N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine

C15H15F2N — CID 43489099

IUPACN-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-15(11-6-4-3-5-7-11)12-8-13(16)10-14(17)9-12/h3-10,15,18H,2H2,1H3
InChIKeyQIHWVJQHXNUFMB-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.66
Rot. Bonds4

About N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine

N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine (PubChem CID 43489099) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
PubChem CID43489099
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-15(11-6-4-3-5-7-11)12-8-13(16)10-14(17)9-12/h3-10,15,18H,2H2,1H3
InChIKeyQIHWVJQHXNUFMB-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydrylethanamine;ethane
CID 142974710
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine (CID 43489099) is N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine?
The InChIKey is QIHWVJQHXNUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-2-18-15(11-6-4-3-5-7-11)12-8-13(16)10-14(17)9-12/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine?
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).