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

C15H16ClNO2 — CID 102663469

IUPAC[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccccc1OCc1ccc(CN)cc1Cl
InChIInChI=1S/C15H16ClNO2/c1-18-14-4-2-3-5-15(14)19-10-12-7-6-11(9-17)8-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyJUKKEPYBZZXSAD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.39
Rot. Bonds5

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

[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 102663469) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
PubChem CID102663469
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccccc1OCc1ccc(CN)cc1Cl
InChIInChI=1S/C15H16ClNO2/c1-18-14-4-2-3-5-15(14)19-10-12-7-6-11(9-17)8-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyJUKKEPYBZZXSAD-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 20986328
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine (CID 102663469) is [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine is COc1ccccc1OCc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is JUKKEPYBZZXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-14-4-2-3-5-15(14)19-10-12-7-6-11(9-17)8-13(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine?
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 102663469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).