2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol

C16H18FNO2 — CID 65312987

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
SMILESOCC(CO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2/c17-14-8-6-13(7-9-14)16(18-15(10-19)11-20)12-4-2-1-3-5-12/h1-9,15-16,18-20H,10-11H2
InChIKeyFCCUWJWXUPNUQE-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.86
Rot. Bonds6

About 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol

2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol (PubChem CID 65312987) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
PubChem CID65312987
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
SMILESOCC(CO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2/c17-14-8-6-13(7-9-14)16(18-15(10-19)11-20)12-4-2-1-3-5-12/h1-9,15-16,18-20H,10-11H2
InChIKeyFCCUWJWXUPNUQE-UHFFFAOYSA-N
XLogP1.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
CID 106187396
2-[[(4-chlorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 86784049
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
2-(benzhydrylamino)propan-1-ol
CID 43499566
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
CID 106171119
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
CID 107862205
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol (CID 65312987) is 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol is OCC(CO)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol?
The InChIKey is FCCUWJWXUPNUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-8-6-13(7-9-14)16(18-15(10-19)11-20)12-4-2-1-3-5-12/h1-9,15-16,18-20H,10-11H2.
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol?
2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol has a molecular weight of 275.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol is sourced from PubChem (CID 65312987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).