1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H19ClFNO — CID 107993035

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-10-21-14-7-4-12(5-8-14)17(20-2)13-6-9-15(18)16(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQTARCFKGLLYUHI-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 107993035) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID107993035
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-10-21-14-7-4-12(5-8-14)17(20-2)13-6-9-15(18)16(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQTARCFKGLLYUHI-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 107993035) is 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is QTARCFKGLLYUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-10-21-14-7-4-12(5-8-14)17(20-2)13-6-9-15(18)16(19)11-13/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 307.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 107993035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).