1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine

C19H18ClN — CID 106857455

IUPAC1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H18ClN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3
InChIKeyRXBRSMRYVJZVNK-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.11
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine

1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 106857455) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID106857455
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H18ClN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3
InChIKeyRXBRSMRYVJZVNK-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 63502238
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 115850961
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 106857455) is 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is RXBRSMRYVJZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 295.81 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 106857455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).