3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine

C17H19Cl2NO2 — CID 170001010

IUPAC3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO2/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-7,10,17H,8-9,11,20H2,1H3
InChIKeyOSUYBRDPZJJNPP-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.61
Rot. Bonds7

About 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine

3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine (PubChem CID 170001010) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
PubChem CID170001010
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO2/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-7,10,17H,8-9,11,20H2,1H3
InChIKeyOSUYBRDPZJJNPP-UHFFFAOYSA-N
XLogP4.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
CID 130373215
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
CID 66742845
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801178
1,3-dichloro-2-[(3-ethynylphenoxy)methyl]benzene
CID 91757458
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine?
The IUPAC name of 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine (CID 170001010) is 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine.
What is the SMILES notation for 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine?
The canonical SMILES for 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine is COC(CCN)c1cccc(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine?
The InChIKey is OSUYBRDPZJJNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-21-17(8-9-20)12-4-2-5-13(10-12)22-11-14-15(18)6-3-7-16(14)19/h2-7,10,17H,8-9,11,20H2,1H3.
What are the key properties of 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine?
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine has a molecular weight of 340.25 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 170001010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).