2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine

C15H23BrClN — CID 65013047

IUPAC2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
SMILESCCCC(CBr)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23BrClN/c1-4-5-13(10-16)11-18(3)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeySQRANKVRVAHYLR-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.14
Rot. Bonds7

About 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine

2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine (PubChem CID 65013047) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
PubChem CID65013047
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
SMILESCCCC(CBr)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23BrClN/c1-4-5-13(10-16)11-18(3)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeySQRANKVRVAHYLR-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.14
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

2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
1-butoxy-3-[1-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 107263860
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62978006
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine (CID 65013047) is 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine is CCCC(CBr)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine?
The InChIKey is SQRANKVRVAHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-4-5-13(10-16)11-18(3)12(2)14-6-8-15(17)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine?
2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine has a molecular weight of 332.71 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine is sourced from PubChem (CID 65013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).