N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine

C16H24BrNO — CID 81016605

IUPACN-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)C(C)CNC2CC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3
InChIKeyOVPKIXTUJWZGMK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.02
Rot. Bonds7

About N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81016605) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81016605
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)C(C)CNC2CC2)cc1Br
InChIInChI=1S/C16H24BrNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3
InChIKeyOVPKIXTUJWZGMK-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81016605) is N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine is COc1ccc(CC(C)C(C)CNC2CC2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is OVPKIXTUJWZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3.
What are the key properties of N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 326.28 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 N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81016605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).