1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine

C18H15Cl2N — CID 43486537

IUPAC1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15Cl2N/c1-21-18(15-8-9-16(19)17(20)11-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,21H,1H3
InChIKeyCINAKJIMSZPHBK-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.46
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine

1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 43486537) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID43486537
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15Cl2N/c1-21-18(15-8-9-16(19)17(20)11-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,21H,1H3
InChIKeyCINAKJIMSZPHBK-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(2,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 63502238
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 43486537) is 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is CINAKJIMSZPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c1-21-18(15-8-9-16(19)17(20)11-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,18,21H,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 316.23 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 43486537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).