2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol

C18H22ClNO2 — CID 67673988

IUPAC2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccccc1CC(C)C(N)C(O)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-12(11-13-7-3-6-10-16(13)22-2)17(20)18(21)14-8-4-5-9-15(14)19/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyHENVTNJSRRTKKO-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.59
Rot. Bonds6

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

2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 67673988) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID67673988
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccccc1CC(C)C(N)C(O)c1ccccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-12(11-13-7-3-6-10-16(13)22-2)17(20)18(21)14-8-4-5-9-15(14)19/h3-10,12,17-18,21H,11,20H2,1-2H3
InChIKeyHENVTNJSRRTKKO-UHFFFAOYSA-N
XLogP3.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673760
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673862
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol (CID 67673988) is 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol is COc1ccccc1CC(C)C(N)C(O)c1ccccc1Cl.
What is the InChIKey of 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is HENVTNJSRRTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-12(11-13-7-3-6-10-16(13)22-2)17(20)18(21)14-8-4-5-9-15(14)19/h3-10,12,17-18,21H,11,20H2,1-2H3.
What are the key properties of 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol?
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 319.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67673988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).