2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine

C19H17Cl2NO — CID 20985453

IUPAC2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine
SMILESNCCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C19H17Cl2NO/c20-17-7-5-13(11-18(17)21)12-23-19-8-6-14-3-1-2-4-15(14)16(19)9-10-22/h1-8,11H,9-10,12,22H2
InChIKeyUAUPBNZMSMRVGP-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.23
Rot. Bonds5

About 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine

2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine (PubChem CID 20985453) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine
PubChem CID20985453
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine
SMILESNCCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C19H17Cl2NO/c20-17-7-5-13(11-18(17)21)12-23-19-8-6-14-3-1-2-4-15(14)16(19)9-10-22/h1-8,11H,9-10,12,22H2
InChIKeyUAUPBNZMSMRVGP-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methanamine
CID 43505452
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
2-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169261
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine (CID 20985453) is 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine is NCCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine?
The InChIKey is UAUPBNZMSMRVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c20-17-7-5-13(11-18(17)21)12-23-19-8-6-14-3-1-2-4-15(14)16(19)9-10-22/h1-8,11H,9-10,12,22H2.
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine?
2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine has a molecular weight of 346.26 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine is sourced from PubChem (CID 20985453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).