N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine

C17H19F2N — CID 115623663

IUPACN-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2N/c1-13(7-8-14-5-3-2-4-6-14)20-12-15-9-16(18)11-17(19)10-15/h2-6,9-11,13,20H,7-8,12H2,1H3
InChIKeyAOMZFJZCKRJSQX-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.08
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine

N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 115623663) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
PubChem CID115623663
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2N/c1-13(7-8-14-5-3-2-4-6-14)20-12-15-9-16(18)11-17(19)10-15/h2-6,9-11,13,20H,7-8,12H2,1H3
InChIKeyAOMZFJZCKRJSQX-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine (CID 115623663) is N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is AOMZFJZCKRJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-13(7-8-14-5-3-2-4-6-14)20-12-15-9-16(18)11-17(19)10-15/h2-6,9-11,13,20H,7-8,12H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine?
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115623663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).