(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine

C19H18ClN — CID 107096609

IUPAC(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(Cl)c1C
InChIInChI=1S/C19H18ClN/c1-12-10-11-14-6-3-4-7-16(14)18(12)19(21)15-8-5-9-17(20)13(15)2/h3-11,19H,21H2,1-2H3
InChIKeyCNURDDZURXAECQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.16
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine

(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 107096609) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
PubChem CID107096609
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(Cl)c1C
InChIInChI=1S/C19H18ClN/c1-12-10-11-14-6-3-4-7-16(14)18(12)19(21)15-8-5-9-17(20)13(15)2/h3-11,19H,21H2,1-2H3
InChIKeyCNURDDZURXAECQ-UHFFFAOYSA-N
XLogP5.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
1-[chloro-(3-chloro-2-methylphenyl)methyl]-4-methylnaphthalene
CID 107099272
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
1-chloro-2,3-dimethylbenzene;methane;1-methylnaphthalene
CID 161192435
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
1-[chloro-(2-iodophenyl)methyl]-2-methylnaphthalene
CID 81432519
1-[chloro-(2,4-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81430002

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine (CID 107096609) is (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine is Cc1ccc2ccccc2c1C(N)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is CNURDDZURXAECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-12-10-11-14-6-3-4-7-16(14)18(12)19(21)15-8-5-9-17(20)13(15)2/h3-11,19H,21H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 295.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 107096609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).