(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine

C18H15Cl2N — CID 81430120

IUPAC(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2N/c1-11-6-7-12-4-2-3-5-16(12)17(11)18(21)13-8-14(19)10-15(20)9-13/h2-10,18H,21H2,1H3
InChIKeyWXQYDQZBOKEAKJ-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.50
Rot. Bonds2

About (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine

(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81430120) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81430120
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2N/c1-11-6-7-12-4-2-3-5-16(12)17(11)18(21)13-8-14(19)10-15(20)9-13/h2-10,18H,21H2,1H3
InChIKeyWXQYDQZBOKEAKJ-UHFFFAOYSA-N
XLogP5.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 107096609
(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002
1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81429992
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
CID 81430287

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine (CID 81430120) is (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine is Cc1ccc2ccccc2c1C(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is WXQYDQZBOKEAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c1-11-6-7-12-4-2-3-5-16(12)17(11)18(21)13-8-14(19)10-15(20)9-13/h2-10,18H,21H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 316.23 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81430120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).