2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol

C17H18Cl3NO — CID 67673658

IUPAC2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)C(N)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl3NO/c1-10(8-11-4-2-3-5-13(11)18)16(21)17(22)12-6-7-14(19)15(20)9-12/h2-7,9-10,16-17,22H,8,21H2,1H3
InChIKeyOWZNALYWVADEQS-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.89
Rot. Bonds5

About 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol

2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 67673658) has the molecular formula C17H18Cl3NO and a molecular weight of 358.70 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID67673658
Molecular FormulaC17H18Cl3NO
Molecular Weight358.70 g/mol
Exact Mass357.05
IUPAC Name2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)C(N)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl3NO/c1-10(8-11-4-2-3-5-13(11)18)16(21)17(22)12-6-7-14(19)15(20)9-12/h2-7,9-10,16-17,22H,8,21H2,1H3
InChIKeyOWZNALYWVADEQS-UHFFFAOYSA-N
XLogP4.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
CID 67673909
2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020
2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673760
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673988
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol (CID 67673658) is 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol is CC(Cc1ccccc1Cl)C(N)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is OWZNALYWVADEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3NO/c1-10(8-11-4-2-3-5-13(11)18)16(21)17(22)12-6-7-14(19)15(20)9-12/h2-7,9-10,16-17,22H,8,21H2,1H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol?
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 358.70 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67673658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).