N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine

C14H17BrClN — CID 114077256

IUPACN-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC/C(=C/c1cc(Br)ccc1Cl)CNC1CC1
InChIInChI=1S/C14H17BrClN/c1-2-10(9-17-13-4-5-13)7-11-8-12(15)3-6-14(11)16/h3,6-8,13,17H,2,4-5,9H2,1H3/b10-7-
InChIKeyPCLTZXLAUCYALZ-YFHOEESVSA-N
MW314.65 g/mol
LogP4.65
Rot. Bonds5

About N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine

N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine (PubChem CID 114077256) has the molecular formula C14H17BrClN and a molecular weight of 314.65 g/mol. Its IUPAC name is N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
PubChem CID114077256
Molecular FormulaC14H17BrClN
Molecular Weight314.65 g/mol
Exact Mass313.02
IUPAC NameN-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC/C(=C/c1cc(Br)ccc1Cl)CNC1CC1
InChIInChI=1S/C14H17BrClN/c1-2-10(9-17-13-4-5-13)7-11-8-12(15)3-6-14(11)16/h3,6-8,13,17H,2,4-5,9H2,1H3/b10-7-
InChIKeyPCLTZXLAUCYALZ-YFHOEESVSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine (CID 114077256) is N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine is CC/C(=C/c1cc(Br)ccc1Cl)CNC1CC1.
What is the InChIKey of N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is PCLTZXLAUCYALZ-YFHOEESVSA-N. The full InChI is InChI=1S/C14H17BrClN/c1-2-10(9-17-13-4-5-13)7-11-8-12(15)3-6-14(11)16/h3,6-8,13,17H,2,4-5,9H2,1H3/b10-7-.
What are the key properties of N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine?
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 314.65 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 114077256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).