1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine

C17H20ClNO — CID 104660912

IUPAC1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
SMILESCCCOc1ccccc1-c1ccc(Cl)cc1CNC
InChIInChI=1S/C17H20ClNO/c1-3-10-20-17-7-5-4-6-16(17)15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyDYNJUWWHSPCFDU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.52
Rot. Bonds6

About 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 104660912) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID104660912
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
SMILESCCCOc1ccccc1-c1ccc(Cl)cc1CNC
InChIInChI=1S/C17H20ClNO/c1-3-10-20-17-7-5-4-6-16(17)15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyDYNJUWWHSPCFDU-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{3-[(3,4-Dichlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263318
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
1-(2-(4-chlorophenoxy)phenyl)-N-methylethanamine
CID 9834987
(3E)-3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 145981805
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 166628347
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-propylpropan-1-amine
CID 166630505
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]butan-1-amine
CID 166634151
N-{4-[(2-chlorobenzyl)oxy]benzyl}-N-(3-ethoxypropyl)amine
CID 1814819
4-({4-[(4-Chlorobenzyl)oxy]benzyl}amino)-1-butanol
CID 11948851

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine (CID 104660912) is 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine is CCCOc1ccccc1-c1ccc(Cl)cc1CNC.
What is the InChIKey of 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is DYNJUWWHSPCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-10-20-17-7-5-4-6-16(17)15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 104660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).