3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride

C9H20Cl3NO — CID 3031206

IUPAC3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride
SMILESCCOCCN(CCCl)CCCCl.Cl
InChIInChI=1S/C9H19Cl2NO.ClH/c1-2-13-9-8-12(7-5-11)6-3-4-10;/h2-9H2,1H3;1H
InChIKeyCHMZATONSYPIJS-UHFFFAOYSA-N
MW264.62 g/mol
LogP2.61
Rot. Bonds9

About 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride

3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride (PubChem CID 3031206) has the molecular formula C9H20Cl3NO and a molecular weight of 264.62 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride
PubChem CID3031206
Molecular FormulaC9H20Cl3NO
Molecular Weight264.62 g/mol
Exact Mass263.06
IUPAC Name3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride
SMILESCCOCCN(CCCl)CCCCl.Cl
InChIInChI=1S/C9H19Cl2NO.ClH/c1-2-13-9-8-12(7-5-11)6-3-4-10;/h2-9H2,1H3;1H
InChIKeyCHMZATONSYPIJS-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(2-chloroethyl)-2-methoxyethylamine hydrochloride
CID 119718
Triethylamine, 2,2'-dichloro-2''-ethoxy-, hydrochloride
CID 202487
Triethylamine, 2-butoxy-2',2''-dichloro-, hydrochloride
CID 214164
4-(2-Chloropropyl)morpholine hydrochloride
CID 71758071
N,N-bis(2-chloroethyl)-2-ethoxyethanamine
CID 202488
Propylamine, 3-chloro-N,N-bis(2-methoxyethyl)-
CID 596220
2-butoxy-N,N-bis(2-chloroethyl)ethanamine
CID 214165
N-(2-Chloroethyl)-N-(2-ethoxyethyl)-4-chlorobutylamine hydrochloride
CID 3027779
N-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63386739
N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)propan-1-amine
CID 116052465
3-chloro-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 116058502
4-(2-Chloro-ethyl)-2,6-dimethyl-morpholine hydrochloride
CID 12955539

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride (CID 3031206) is 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride is CCOCCN(CCCl)CCCCl.Cl.
What is the InChIKey of 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride?
The InChIKey is CHMZATONSYPIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2NO.ClH/c1-2-13-9-8-12(7-5-11)6-3-4-10;/h2-9H2,1H3;1H.
What are the key properties of 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride?
3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride has a molecular weight of 264.62 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroethyl)-N-(2-ethoxyethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 3031206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).