1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine

C18H22BrNO — CID 61372893

IUPAC1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-20-17(13-15-5-4-6-16(19)11-15)12-14-7-9-18(21-2)10-8-14/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyPZVFOUWBPYZICG-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.22
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine

1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 61372893) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
PubChem CID61372893
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-20-17(13-15-5-4-6-16(19)11-15)12-14-7-9-18(21-2)10-8-14/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyPZVFOUWBPYZICG-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine (CID 61372893) is 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine is CCNC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is PZVFOUWBPYZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-20-17(13-15-5-4-6-16(19)11-15)12-14-7-9-18(21-2)10-8-14/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61372893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).