1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine

C17H20ClN — CID 116545376

IUPAC1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1cccc(-c2ccc(Cl)cc2CNC)c1
InChIInChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)17-9-8-16(18)11-15(17)12-19-2/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyMPWVEJCPMISCHL-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.68
Rot. Bonds5

About 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine (PubChem CID 116545376) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
PubChem CID116545376
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1cccc(-c2ccc(Cl)cc2CNC)c1
InChIInChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)17-9-8-16(18)11-15(17)12-19-2/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyMPWVEJCPMISCHL-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
4-chloro-2-(3-propylphenyl)benzaldehyde
CID 116545276
N-[[5-chloro-2-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66161087
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
3-[4-chloro-2-(propylaminomethyl)phenyl]benzonitrile
CID 66161278
1-[5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-methylmethanamine
CID 66160295
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
CID 104660912
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine (CID 116545376) is 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine is CCCc1cccc(-c2ccc(Cl)cc2CNC)c1.
What is the InChIKey of 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is MPWVEJCPMISCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-5-13-6-4-7-14(10-13)17-9-8-16(18)11-15(17)12-19-2/h4,6-11,19H,3,5,12H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 116545376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).