1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine

C15H24BrNO — CID 54971213

IUPAC1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1ccc(OC)c(Br)c1)C(C)C
InChIInChI=1S/C15H24BrNO/c1-5-17-14(11(2)3)8-6-12-7-9-15(18-4)13(16)10-12/h7,9-11,14,17H,5-6,8H2,1-4H3
InChIKeyJYLIIGWOLOYZPB-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine

1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine (PubChem CID 54971213) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine
PubChem CID54971213
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1ccc(OC)c(Br)c1)C(C)C
InChIInChI=1S/C15H24BrNO/c1-5-17-14(11(2)3)8-6-12-7-9-15(18-4)13(16)10-12/h7,9-11,14,17H,5-6,8H2,1-4H3
InChIKeyJYLIIGWOLOYZPB-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
CID 64504008
1-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 107859064
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
methyl 2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690959
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018947
2-bromo-4-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460541

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine (CID 54971213) is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine is CCNC(CCc1ccc(OC)c(Br)c1)C(C)C.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
The InChIKey is JYLIIGWOLOYZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-17-14(11(2)3)8-6-12-7-9-15(18-4)13(16)10-12/h7,9-11,14,17H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine?
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine is sourced from PubChem (CID 54971213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).