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

C15H15ClFNO — CID 43283411

IUPAC1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2C)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyCFRVZMOTTYDQTQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.30
Rot. Bonds4

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

1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 43283411) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID43283411
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2C)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyCFRVZMOTTYDQTQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 43283411) is 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(Cl)cc2C)c(F)c1.
What is the InChIKey of 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is CFRVZMOTTYDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).