1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine

C18H15Cl2N — CID 79591643

IUPAC1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15Cl2N/c1-21-18(12-5-4-6-13(19)11-12)16-9-10-17(20)15-8-3-2-7-14(15)16/h2-11,18,21H,1H3
InChIKeyGUSKMMGVQBKMAI-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.46
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine

1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 79591643) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID79591643
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15Cl2N/c1-21-18(12-5-4-6-13(19)11-12)16-9-10-17(20)15-8-3-2-7-14(15)16/h2-11,18,21H,1H3
InChIKeyGUSKMMGVQBKMAI-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-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
1-(4-chloronaphthalen-1-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 79597508
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811933
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine (CID 79591643) is 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is GUSKMMGVQBKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c1-21-18(12-5-4-6-13(19)11-12)16-9-10-17(20)15-8-3-2-7-14(15)16/h2-11,18,21H,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine?
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine 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-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 79591643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).