N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine

C13H16BrN — CID 79340531

IUPACN-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1cccc(Br)c1)CNC1CC1
InChIInChI=1S/C13H16BrN/c1-10(9-15-13-5-6-13)7-11-3-2-4-12(14)8-11/h2-4,7-8,13,15H,5-6,9H2,1H3
InChIKeyUYYVULPTCDVZDG-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.60
Rot. Bonds4

About N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine

N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79340531) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79340531
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC NameN-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1cccc(Br)c1)CNC1CC1
InChIInChI=1S/C13H16BrN/c1-10(9-15-13-5-6-13)7-11-3-2-4-12(14)8-11/h2-4,7-8,13,15H,5-6,9H2,1H3
InChIKeyUYYVULPTCDVZDG-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
1-cyclopropyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 56823400
1-bromo-3-[(E)-2-methylhept-1-enyl]benzene
CID 173028155
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79340630
N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79341149
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 119108400
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine (CID 79340531) is N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine is CC(=Cc1cccc(Br)c1)CNC1CC1.
What is the InChIKey of N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is UYYVULPTCDVZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-10(9-15-13-5-6-13)7-11-3-2-4-12(14)8-11/h2-4,7-8,13,15H,5-6,9H2,1H3.
What are the key properties of N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine?
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 266.18 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).