4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

C15H24BrNO — CID 81018947

IUPAC4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CC(C)CCNC(C)C)cc1Br
InChIInChI=1S/C15H24BrNO/c1-11(2)17-8-7-12(3)9-13-5-6-15(18-4)14(16)10-13/h5-6,10-12,17H,7-9H2,1-4H3
InChIKeyKFOIEFIKJICTJP-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

About 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81018947) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81018947
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CC(C)CCNC(C)C)cc1Br
InChIInChI=1S/C15H24BrNO/c1-11(2)17-8-7-12(3)9-13-5-6-15(18-4)14(16)10-13/h5-6,10-12,17H,7-9H2,1-4H3
InChIKeyKFOIEFIKJICTJP-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

3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29223820
1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 63412972
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
N-[(3-bromo-4-methoxyphenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153556
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81018947) is 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is COc1ccc(CC(C)CCNC(C)C)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KFOIEFIKJICTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-11(2)17-8-7-12(3)9-13-5-6-15(18-4)14(16)10-13/h5-6,10-12,17H,7-9H2,1-4H3.
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-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 4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81018947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).