[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine

C14H14ClNO2 — CID 63082834

IUPAC[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
SMILESCOc1cccc(Oc2cc(Cl)ccc2CN)c1
InChIInChI=1S/C14H14ClNO2/c1-17-12-3-2-4-13(8-12)18-14-7-11(15)6-5-10(14)9-16/h2-8H,9,16H2,1H3
InChIKeyKDONOIQRWDYNMS-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.60
Rot. Bonds4

About [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine

[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine (PubChem CID 63082834) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
PubChem CID63082834
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
SMILESCOc1cccc(Oc2cc(Cl)ccc2CN)c1
InChIInChI=1S/C14H14ClNO2/c1-17-12-3-2-4-13(8-12)18-14-7-11(15)6-5-10(14)9-16/h2-8H,9,16H2,1H3
InChIKeyKDONOIQRWDYNMS-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
[4-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 114856709
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
CID 114863221
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine (CID 63082834) is [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine is COc1cccc(Oc2cc(Cl)ccc2CN)c1.
What is the InChIKey of [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine?
The InChIKey is KDONOIQRWDYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-12-3-2-4-13(8-12)18-14-7-11(15)6-5-10(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine?
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine has a molecular weight of 263.72 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 63082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).