N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride

C19H25Cl2NO — CID 24843959

IUPACN-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
SMILESCCCN(CCCl)CCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C19H24ClNO.ClH/c1-2-13-21(14-12-20)15-16-22-19-11-7-6-10-18(19)17-8-4-3-5-9-17;/h3-11H,2,12-16H2,1H3;1H
InChIKeyUBSVFQFXKKMOEN-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.11
Rot. Bonds9

About N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride

N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride (PubChem CID 24843959) has the molecular formula C19H25Cl2NO and a molecular weight of 354.32 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
PubChem CID24843959
Molecular FormulaC19H25Cl2NO
Molecular Weight354.32 g/mol
Exact Mass353.13
IUPAC NameN-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
SMILESCCCN(CCCl)CCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C19H24ClNO.ClH/c1-2-13-21(14-12-20)15-16-22-19-11-7-6-10-18(19)17-8-4-3-5-9-17;/h3-11H,2,12-16H2,1H3;1H
InChIKeyUBSVFQFXKKMOEN-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 1313815
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
1-octadecoxy-2-phenylbenzene
CID 70983974
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N-(2-chloroethyl)-N-(2-phenoxyethyl)butan-1-amine
CID 63388991
N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride
CID 24847300
N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 3048671
1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride (CID 24843959) is N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride is CCCN(CCCl)CCOc1ccccc1-c1ccccc1.Cl.
What is the InChIKey of N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride?
The InChIKey is UBSVFQFXKKMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO.ClH/c1-2-13-21(14-12-20)15-16-22-19-11-7-6-10-18(19)17-8-4-3-5-9-17;/h3-11H,2,12-16H2,1H3;1H.
What are the key properties of N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride?
N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride has a molecular weight of 354.32 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 24843959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).