1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine

C17H19BrClNO — CID 43480319

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C17H19BrClNO/c1-20-16(9-8-12-6-4-3-5-7-12)14-10-13(19)11-15(18)17(14)21-2/h3-7,10-11,16,20H,8-9H2,1-2H3
InChIKeyDZWSHHGWWMWUNE-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds6

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine

1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 43480319) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID43480319
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C17H19BrClNO/c1-20-16(9-8-12-6-4-3-5-7-12)14-10-13(19)11-15(18)17(14)21-2/h3-7,10-11,16,20H,8-9H2,1-2H3
InChIKeyDZWSHHGWWMWUNE-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864754
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43480336
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43480322
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine (CID 43480319) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is DZWSHHGWWMWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-20-16(9-8-12-6-4-3-5-7-12)14-10-13(19)11-15(18)17(14)21-2/h3-7,10-11,16,20H,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 43480319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).