3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol

C17H20FNO — CID 79691997

IUPAC3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
SMILESCC(CCO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(11-12-20)19-17(14-5-3-2-4-6-14)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyXPNNTZFZWBYWJW-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.28
Rot. Bonds6

About 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol

3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol (PubChem CID 79691997) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
PubChem CID79691997
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
SMILESCC(CCO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(11-12-20)19-17(14-5-3-2-4-6-14)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyXPNNTZFZWBYWJW-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 65312987
2-(benzhydrylamino)propan-1-ol
CID 43499566
4-[[(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 110010343
N-[bis(4-fluorophenyl)methyl]butan-2-amine
CID 170075014
(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
CID 103871716
2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
CID 106187396
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol?
The IUPAC name of 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol (CID 79691997) is 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol is CC(CCO)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol?
The InChIKey is XPNNTZFZWBYWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(11-12-20)19-17(14-5-3-2-4-6-14)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol?
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol is sourced from PubChem (CID 79691997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).