3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine

C16H17BrClNO — CID 59331937

IUPAC3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-10-9-16(12-5-7-13(17)8-6-12)20-15-4-2-3-14(18)11-15/h2-8,11,16,19H,9-10H2,1H3
InChIKeyWHHXGILMTJNKIE-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.83
Rot. Bonds6

About 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine

3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine (PubChem CID 59331937) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine
PubChem CID59331937
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO/c1-19-10-9-16(12-5-7-13(17)8-6-12)20-15-4-2-3-14(18)11-15/h2-8,11,16,19H,9-10H2,1H3
InChIKeyWHHXGILMTJNKIE-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
1-(4-bromophenyl)-3-(3-chlorophenoxy)butan-2-amine
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3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
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3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
CID 102190330
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
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1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
N-[3-[1-[5-(4-bromophenoxy)-5-(4-chlorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048947
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
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CID 2165550

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine (CID 59331937) is 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine is CNCCC(Oc1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine?
The InChIKey is WHHXGILMTJNKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-10-9-16(12-5-7-13(17)8-6-12)20-15-4-2-3-14(18)11-15/h2-8,11,16,19H,9-10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine?
3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine has a molecular weight of 354.68 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-(3-chlorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 59331937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).