N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine

C23H22F3N — CID 23965353

IUPACN-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine
SMILESFc1ccc(CN(CCCc2ccccc2)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C23H22F3N/c24-21-10-8-19(9-11-21)16-27(14-4-7-18-5-2-1-3-6-18)17-20-15-22(25)12-13-23(20)26/h1-3,5-6,8-13,15H,4,7,14,16-17H2
InChIKeyHPOVQISBLJRGKT-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.74
Rot. Bonds8

About N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine

N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine (PubChem CID 23965353) has the molecular formula C23H22F3N and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine
PubChem CID23965353
Molecular FormulaC23H22F3N
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC NameN-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine
SMILESFc1ccc(CN(CCCc2ccccc2)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C23H22F3N/c24-21-10-8-19(9-11-21)16-27(14-4-7-18-5-2-1-3-6-18)17-20-15-22(25)12-13-23(20)26/h1-3,5-6,8-13,15H,4,7,14,16-17H2
InChIKeyHPOVQISBLJRGKT-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N'-benzyl-N'-[(2-bromo-5-fluorophenyl)methyl]propane-1,3-diamine
CID 107366867
N'-benzyl-N'-[(2-bromo-4-fluorophenyl)methyl]propane-1,3-diamine
CID 107367498
N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
CID 23967601
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
N'-benzyl-N'-[(5-bromo-2-fluorophenyl)methyl]propane-1,3-diamine
CID 107365337
N-benzyl-2-bromo-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105375239
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
N-benzyl-2-bromo-N-[(2-fluorophenyl)methyl]ethanamine
CID 80680387

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine (CID 23965353) is N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine is Fc1ccc(CN(CCCc2ccccc2)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine?
The InChIKey is HPOVQISBLJRGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N/c24-21-10-8-19(9-11-21)16-27(14-4-7-18-5-2-1-3-6-18)17-20-15-22(25)12-13-23(20)26/h1-3,5-6,8-13,15H,4,7,14,16-17H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine?
N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine has a molecular weight of 369.43 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 23965353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).