N-[bis(4-fluorophenyl)methyl]butan-2-amine

C17H19F2N — CID 170075014

IUPACN-[bis(4-fluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-3-12(2)20-17(13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,17,20H,3H2,1-2H3
InChIKeySCJPHDKCGMJOTM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.44
Rot. Bonds5

About N-[bis(4-fluorophenyl)methyl]butan-2-amine

N-[bis(4-fluorophenyl)methyl]butan-2-amine (PubChem CID 170075014) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]butan-2-amine
PubChem CID170075014
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[bis(4-fluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-3-12(2)20-17(13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,17,20H,3H2,1-2H3
InChIKeySCJPHDKCGMJOTM-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
1-butan-2-yl-4-fluorobenzene
CID 11829648
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 110010343
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 75428016
(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 97322268

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]butan-2-amine?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]butan-2-amine (CID 170075014) is N-[bis(4-fluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]butan-2-amine?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]butan-2-amine is CCC(C)NC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]butan-2-amine?
The InChIKey is SCJPHDKCGMJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-12(2)20-17(13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-12,17,20H,3H2,1-2H3.
What are the key properties of N-[bis(4-fluorophenyl)methyl]butan-2-amine?
N-[bis(4-fluorophenyl)methyl]butan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 170075014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).