2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol

C17H20FNO2 — CID 106187396

IUPAC2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-21-12-16(11-20)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16-17,19-20H,11-12H2,1H3
InChIKeyDAJNHRLGGVQQBW-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.51
Rot. Bonds7

About 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol

2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol (PubChem CID 106187396) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
PubChem CID106187396
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-21-12-16(11-20)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16-17,19-20H,11-12H2,1H3
InChIKeyDAJNHRLGGVQQBW-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 65312987
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
2-[[(4-chlorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 86784049
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
CID 43191842
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol (CID 106187396) is 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol is COCC(CO)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol?
The InChIKey is DAJNHRLGGVQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-21-12-16(11-20)19-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,16-17,19-20H,11-12H2,1H3.
What are the key properties of 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol?
2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).