2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol

C17H20ClNO — CID 106506068

IUPAC2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-2-3-8-16(13)17(11-19,12-20)10-14-6-4-7-15(18)9-14/h2-9,20H,10-12,19H2,1H3
InChIKeyUFAJEFFFYBGGTL-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.08
Rot. Bonds5

About 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 106506068) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID106506068
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-13-5-2-3-8-16(13)17(11-19,12-20)10-14-6-4-7-15(18)9-14/h2-9,20H,10-12,19H2,1H3
InChIKeyUFAJEFFFYBGGTL-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506152
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506110
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991
2-(2-ethylsulfanylethyl)-2-(2-methylphenyl)propane-1,3-diol
CID 113474734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol (CID 106506068) is 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CN)(CO)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is UFAJEFFFYBGGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-5-2-3-8-16(13)17(11-19,12-20)10-14-6-4-7-15(18)9-14/h2-9,20H,10-12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).