N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine

C15H19BrClN — CID 83241300

IUPACN-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)/C(=C/c1ccc(Cl)c(Br)c1)CNC1CC1
InChIInChI=1S/C15H19BrClN/c1-10(2)12(9-18-13-4-5-13)7-11-3-6-15(17)14(16)8-11/h3,6-8,10,13,18H,4-5,9H2,1-2H3/b12-7+
InChIKeyLRXUVPPDUXLJAH-KPKJPENVSA-N
MW328.68 g/mol
LogP4.89
Rot. Bonds5

About N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine

N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 83241300) has the molecular formula C15H19BrClN and a molecular weight of 328.68 g/mol. Its IUPAC name is N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID83241300
Molecular FormulaC15H19BrClN
Molecular Weight328.68 g/mol
Exact Mass327.04
IUPAC NameN-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)/C(=C/c1ccc(Cl)c(Br)c1)CNC1CC1
InChIInChI=1S/C15H19BrClN/c1-10(2)12(9-18-13-4-5-13)7-11-3-6-15(17)14(16)8-11/h3,6-8,10,13,18H,4-5,9H2,1-2H3/b12-7+
InChIKeyLRXUVPPDUXLJAH-KPKJPENVSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736
N-[(E)-3-(3-bromo-4-chlorophenyl)prop-2-enyl]cyclopropanamine
CID 83241851
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 79342430
N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338918
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
(E)-4-(3-bromo-4-chlorophenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092890
(Z)-3-(3-bromo-4-chlorophenyl)-2-methylprop-2-enoic acid
CID 83229880
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine (CID 83241300) is N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine is CC(C)/C(=C/c1ccc(Cl)c(Br)c1)CNC1CC1.
What is the InChIKey of N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is LRXUVPPDUXLJAH-KPKJPENVSA-N. The full InChI is InChI=1S/C15H19BrClN/c1-10(2)12(9-18-13-4-5-13)7-11-3-6-15(17)14(16)8-11/h3,6-8,10,13,18H,4-5,9H2,1-2H3/b12-7+.
What are the key properties of N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine?
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 328.68 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 83241300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).