2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol

C18H22ClNO — CID 67672020

IUPAC2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1C(O)C(N)C(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12-7-3-5-9-15(12)18(21)17(20)13(2)11-14-8-4-6-10-16(14)19/h3-10,13,17-18,21H,11,20H2,1-2H3
InChIKeyMXSWCDOHFRXSEU-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol

2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol (PubChem CID 67672020) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
PubChem CID67672020
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1C(O)C(N)C(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12-7-3-5-9-15(12)18(21)17(20)13(2)11-14-8-4-6-10-16(14)19/h3-10,13,17-18,21H,11,20H2,1-2H3
InChIKeyMXSWCDOHFRXSEU-UHFFFAOYSA-N
XLogP3.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673760
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673988
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
CID 67673909
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
CID 103290995
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol (CID 67672020) is 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol is Cc1ccccc1C(O)C(N)C(C)Cc1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol?
The InChIKey is MXSWCDOHFRXSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-7-3-5-9-15(12)18(21)17(20)13(2)11-14-8-4-6-10-16(14)19/h3-10,13,17-18,21H,11,20H2,1-2H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol?
2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 3.89, 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)-3-methyl-1-(2-methylphenyl)butan-1-ol is sourced from PubChem (CID 67672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).