3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol

C18H22ClNO — CID 107100522

IUPAC3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C18H22ClNO/c1-11-7-8-14(9-12(11)2)16(10-20)18(21)15-5-4-6-17(19)13(15)3/h4-9,16,18,21H,10,20H2,1-3H3
InChIKeyPEGAINYWSSBFEF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.04
Rot. Bonds4

About 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol

3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 107100522) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID107100522
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C18H22ClNO/c1-11-7-8-14(9-12(11)2)16(10-20)18(21)15-5-4-6-17(19)13(15)3/h4-9,16,18,21H,10,20H2,1-3H3
InChIKeyPEGAINYWSSBFEF-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-1-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 107100511
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol (CID 107100522) is 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)c2cccc(Cl)c2C)cc1C.
What is the InChIKey of 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is PEGAINYWSSBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11-7-8-14(9-12(11)2)16(10-20)18(21)15-5-4-6-17(19)13(15)3/h4-9,16,18,21H,10,20H2,1-3H3.
What are the key properties of 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol?
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 107100522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).