N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride

C16H21Cl2NO — CID 24847300

IUPACN-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride
SMILESCCN(CCCl)CCOc1cccc2ccccc12.Cl
InChIInChI=1S/C16H20ClNO.ClH/c1-2-18(11-10-17)12-13-19-16-9-5-7-14-6-3-4-8-15(14)16;/h3-9H,2,10-13H2,1H3;1H
InChIKeyDMVWPCFYKFAELZ-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.20
Rot. Bonds7

About N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride

N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride (PubChem CID 24847300) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride
PubChem CID24847300
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride
SMILESCCN(CCCl)CCOc1cccc2ccccc12.Cl
InChIInChI=1S/C16H20ClNO.ClH/c1-2-18(11-10-17)12-13-19-16-9-5-7-14-6-3-4-8-15(14)16;/h3-9H,2,10-13H2,1H3;1H
InChIKeyDMVWPCFYKFAELZ-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.20
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-(3-chloropropoxy)naphthalene
CID 12685615
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
2-acridin-4-yloxy-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
CID 11661283
1-butoxynaphthalene
CID 13262700
N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
CID 24843959
N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride
CID 45356250
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
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
4-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylbutan-1-amine
CID 3039002
1-(4-methylpentoxy)naphthalene
CID 83168126
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride (CID 24847300) is N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride is CCN(CCCl)CCOc1cccc2ccccc12.Cl.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride?
The InChIKey is DMVWPCFYKFAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO.ClH/c1-2-18(11-10-17)12-13-19-16-9-5-7-14-6-3-4-8-15(14)16;/h3-9H,2,10-13H2,1H3;1H.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride?
N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride has a molecular weight of 314.26 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine;hydrochloride is sourced from PubChem (CID 24847300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).