1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine

C19H18ClN — CID 105410094

IUPAC1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H18ClN/c1-13-7-8-14(12-21-2)11-18(13)16-9-10-19(20)17-6-4-3-5-15(16)17/h3-11,21H,12H2,1-2H3
InChIKeyZCOIAGJBZMYUFM-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.19
Rot. Bonds3

About 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine

1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105410094) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
PubChem CID105410094
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(-c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H18ClN/c1-13-7-8-14(12-21-2)11-18(13)16-9-10-19(20)17-6-4-3-5-15(16)17/h3-11,21H,12H2,1-2H3
InChIKeyZCOIAGJBZMYUFM-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410126
1-[3-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 103434169
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 106646455
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine (CID 105410094) is 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(-c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is ZCOIAGJBZMYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-13-7-8-14(12-21-2)11-18(13)16-9-10-19(20)17-6-4-3-5-15(16)17/h3-11,21H,12H2,1-2H3.
What are the key properties of 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 295.81 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).