N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine

C11H15Cl2N — CID 5928

IUPACN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
SMILESClCCN(CCCl)Cc1ccccc1
InChIInChI=1S/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVLWJKVNMRMHPCC-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.97
Rot. Bonds6

About N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine

N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine (PubChem CID 5928) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
PubChem CID5928
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC NameN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
SMILESClCCN(CCCl)Cc1ccccc1
InChIInChI=1S/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVLWJKVNMRMHPCC-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.97
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-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)hexane-1,6-diamine;hydrochloride
CID 54598955
(E)-N-benzyl-3-chloro-N-(2-chloroethyl)prop-2-en-1-amine
CID 107900965
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
N-benzyl-2-chloro-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63388974
N-benzyl-N-(2-chloroethyl)-3-ethoxypropan-1-amine
CID 65177773
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine?
The IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine (CID 5928) is N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine?
The canonical SMILES for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine is ClCCN(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine?
The InChIKey is VLWJKVNMRMHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine?
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine has a molecular weight of 232.15 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine is sourced from PubChem (CID 5928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).