N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine

C14H18Br2ClN — CID 102860014

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
SMILESClc1cc(Br)ccc1CN(CCCBr)C1CCC1
InChIInChI=1S/C14H18Br2ClN/c15-7-2-8-18(13-3-1-4-13)10-11-5-6-12(16)9-14(11)17/h5-6,9,13H,1-4,7-8,10H2
InChIKeyHZBGIACREFMNDX-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.24
Rot. Bonds6

About N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine

N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine (PubChem CID 102860014) has the molecular formula C14H18Br2ClN and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
PubChem CID102860014
Molecular FormulaC14H18Br2ClN
Molecular Weight395.57 g/mol
Exact Mass392.95
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
SMILESClc1cc(Br)ccc1CN(CCCBr)C1CCC1
InChIInChI=1S/C14H18Br2ClN/c15-7-2-8-18(13-3-1-4-13)10-11-5-6-12(16)9-14(11)17/h5-6,9,13H,1-4,7-8,10H2
InChIKeyHZBGIACREFMNDX-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
N-(2-bromoethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106869935
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 113471328
N-(2-bromoethyl)-N-[(2-chlorophenyl)methyl]cyclobutanamine
CID 102860888
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
N-(2-bromoethyl)-N-[(4-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 80668899
N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
CID 102860169
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
N-(2-bromoethyl)-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine (CID 102860014) is N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine is Clc1cc(Br)ccc1CN(CCCBr)C1CCC1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine?
The InChIKey is HZBGIACREFMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2ClN/c15-7-2-8-18(13-3-1-4-13)10-11-5-6-12(16)9-14(11)17/h5-6,9,13H,1-4,7-8,10H2.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine?
N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine has a molecular weight of 395.57 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine is sourced from PubChem (CID 102860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).