N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine

C13H18BrN — CID 83693837

IUPACN-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(C)C(NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-9(2)13(15-12-7-8-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyZWKXMUJSOUWQOQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.90
Rot. Bonds4

About N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine

N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 83693837) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
PubChem CID83693837
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(C)C(NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN/c1-9(2)13(15-12-7-8-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyZWKXMUJSOUWQOQ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
CID 43234109
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 83694064
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-(4-chlorophenyl)-2-methylpropyl]-1,1-dioxothian-4-amine
CID 43687632
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine (CID 83693837) is N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine is CC(C)C(NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is ZWKXMUJSOUWQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(2)13(15-12-7-8-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine?
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 268.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 83693837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).