1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine

C18H16ClNO — CID 63532726

IUPAC1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
SMILESCC(N)c1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H16ClNO/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3
InChIKeyHJXYJURXWOMIGH-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.31
Rot. Bonds3

About 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine

1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine (PubChem CID 63532726) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
PubChem CID63532726
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
SMILESCC(N)c1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C18H16ClNO/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3
InChIKeyHJXYJURXWOMIGH-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1S)-1-[4-(3-tert-butylphenoxy)-3-chlorophenyl]ethanamine
CID 78944267
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
1-naphthalen-2-ylethanamine
CID 3857145
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744
2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene
CID 91325108
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine (CID 63532726) is 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine is CC(N)c1ccc(Oc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine?
The InChIKey is HJXYJURXWOMIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3.
What are the key properties of 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine?
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine has a molecular weight of 297.79 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 63532726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).