N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine

C17H26BrNO2 — CID 65308359

IUPACN-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCOc1cc(Br)c(CCC(C)(C)CNC2CC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-17(2,11-19-13-5-6-13)8-7-12-9-15(20-3)16(21-4)10-14(12)18/h9-10,13,19H,5-8,11H2,1-4H3
InChIKeyJUHDHOFVJHTADV-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.18
Rot. Bonds8

About N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine

N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine (PubChem CID 65308359) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
PubChem CID65308359
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCOc1cc(Br)c(CCC(C)(C)CNC2CC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-17(2,11-19-13-5-6-13)8-7-12-9-15(20-3)16(21-4)10-14(12)18/h9-10,13,19H,5-8,11H2,1-4H3
InChIKeyJUHDHOFVJHTADV-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloro-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308470
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308482
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453715
N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308480
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66534972
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine
CID 65433973
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine (CID 65308359) is N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine is COc1cc(Br)c(CCC(C)(C)CNC2CC2)cc1OC.
What is the InChIKey of N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The InChIKey is JUHDHOFVJHTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-17(2,11-19-13-5-6-13)8-7-12-9-15(20-3)16(21-4)10-14(12)18/h9-10,13,19H,5-8,11H2,1-4H3.
What are the key properties of N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine has a molecular weight of 356.30 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 65308359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).