2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine

C12H16Cl2N2 — CID 6536929

IUPAC2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
SMILESC/C(=N/N(CCCl)CCCl)c1ccccc1
InChIInChI=1S/C12H16Cl2N2/c1-11(12-5-3-2-4-6-12)15-16(9-7-13)10-8-14/h2-6H,7-10H2,1H3/b15-11-
InChIKeyMGMOZLMVTHGLLV-PTNGSMBKSA-N
MW259.18 g/mol
LogP3.19
Rot. Bonds6

About 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine

2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine (PubChem CID 6536929) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
PubChem CID6536929
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
SMILESC/C(=N/N(CCCl)CCCl)c1ccccc1
InChIInChI=1S/C12H16Cl2N2/c1-11(12-5-3-2-4-6-12)15-16(9-7-13)10-8-14/h2-6H,7-10H2,1H3/b15-11-
InChIKeyMGMOZLMVTHGLLV-PTNGSMBKSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(benzhydrylideneamino)-methylamino]-N-(1-phenylethylideneamino)methanamine
CID 91258409
N-cyclopropyl-N-[(E)-1-phenylethylideneamino]cyclopropanamine
CID 177445849
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
CID 5245817
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N,N'-bis(1-phenylethyl)-N,N'-bis(1-phenylethylideneamino)hexanediamide
CID 87949537
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-benzyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]aniline
CID 6050760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine (CID 6536929) is 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine is C/C(=N/N(CCCl)CCCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine?
The InChIKey is MGMOZLMVTHGLLV-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-11(12-5-3-2-4-6-12)15-16(9-7-13)10-8-14/h2-6H,7-10H2,1H3/b15-11-.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine?
2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine has a molecular weight of 259.18 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine is sourced from PubChem (CID 6536929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).