1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol

C16H16BrCl2NO — CID 118675472

IUPAC1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(c1ccc(Cl)c(Cl)c1)C(O)c1cccc(Br)c1
InChIInChI=1S/C16H16BrCl2NO/c1-20-9-13(10-5-6-14(18)15(19)8-10)16(21)11-3-2-4-12(17)7-11/h2-8,13,16,20-21H,9H2,1H3
InChIKeyNGXVLKNIKQVIQZ-UHFFFAOYSA-N
MW389.12 g/mol
LogP4.79
Rot. Bonds5

About 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol

1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol (PubChem CID 118675472) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
PubChem CID118675472
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(c1ccc(Cl)c(Cl)c1)C(O)c1cccc(Br)c1
InChIInChI=1S/C16H16BrCl2NO/c1-20-9-13(10-5-6-14(18)15(19)8-10)16(21)11-3-2-4-12(17)7-11/h2-8,13,16,20-21H,9H2,1H3
InChIKeyNGXVLKNIKQVIQZ-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986
(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride
CID 118675442
[(2S,3R)-2-(3,4-dichlorophenyl)-3-hydroxy-3-phenylpropyl]carbamic acid
CID 118675734
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol (CID 118675472) is 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol is CNCC(c1ccc(Cl)c(Cl)c1)C(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The InChIKey is NGXVLKNIKQVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-20-9-13(10-5-6-14(18)15(19)8-10)16(21)11-3-2-4-12(17)7-11/h2-8,13,16,20-21H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol has a molecular weight of 389.12 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 118675472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).