1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine

C16H17ClFNO2 — CID 103037822

IUPAC1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO2/c1-19-9-12-4-5-13(20-2)8-16(12)21-10-11-3-6-15(18)14(17)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyMXNSYZMYLRZXHM-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.79
Rot. Bonds6

About 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine

1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine (PubChem CID 103037822) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
PubChem CID103037822
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO2/c1-19-9-12-4-5-13(20-2)8-16(12)21-10-11-3-6-15(18)14(17)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyMXNSYZMYLRZXHM-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine (CID 103037822) is 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine?
The InChIKey is MXNSYZMYLRZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-19-9-12-4-5-13(20-2)8-16(12)21-10-11-3-6-15(18)14(17)7-11/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine?
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 103037822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).