1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine

C15H15ClFNO — CID 105395772

IUPAC1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc(F)ccc2Cl)ccc1OC
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-7-10(3-6-15(11)19-2)13-8-12(17)4-5-14(13)16/h3-8,18H,9H2,1-2H3
InChIKeySRRVCIKBELRULQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.87
Rot. Bonds4

About 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine

1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine (PubChem CID 105395772) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
PubChem CID105395772
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc(F)ccc2Cl)ccc1OC
InChIInChI=1S/C15H15ClFNO/c1-18-9-11-7-10(3-6-15(11)19-2)13-8-12(17)4-5-14(13)16/h3-8,18H,9H2,1-2H3
InChIKeySRRVCIKBELRULQ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine (CID 105395772) is 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine is CNCc1cc(-c2cc(F)ccc2Cl)ccc1OC.
What is the InChIKey of 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine?
The InChIKey is SRRVCIKBELRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-11-7-10(3-6-15(11)19-2)13-8-12(17)4-5-14(13)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine?
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 105395772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).