3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol

C16H17Cl2NO — CID 65184520

IUPAC3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-5-11(8-10)16(20)12(9-19)15-13(17)6-3-7-14(15)18/h2-8,12,16,20H,9,19H2,1H3
InChIKeyMLDIWDOCELNFDY-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.08
Rot. Bonds4

About 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol

3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol (PubChem CID 65184520) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
PubChem CID65184520
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-4-2-5-11(8-10)16(20)12(9-19)15-13(17)6-3-7-14(15)18/h2-8,12,16,20H,9,19H2,1H3
InChIKeyMLDIWDOCELNFDY-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 81316223
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol (CID 65184520) is 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol is Cc1cccc(C(O)C(CN)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol?
The InChIKey is MLDIWDOCELNFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-4-2-5-11(8-10)16(20)12(9-19)15-13(17)6-3-7-14(15)18/h2-8,12,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol?
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol has a molecular weight of 310.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 65184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).