2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol

C16H17ClFNO — CID 106507025

IUPAC2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c17-14-6-4-12(5-7-14)9-16(10-19,11-20)13-2-1-3-15(18)8-13/h1-8,20H,9-11,19H2
InChIKeySBEKXZACIBVYCT-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.91
Rot. Bonds5

About 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol

2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 106507025) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID106507025
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c17-14-6-4-12(5-7-14)9-16(10-19,11-20)13-2-1-3-15(18)8-13/h1-8,20H,9-11,19H2
InChIKeySBEKXZACIBVYCT-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097
1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol (CID 106507025) is 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol is NCC(CO)(Cc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is SBEKXZACIBVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c17-14-6-4-12(5-7-14)9-16(10-19,11-20)13-2-1-3-15(18)8-13/h1-8,20H,9-11,19H2.
What are the key properties of 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 106507025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).