2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine

C17H19ClN2 — CID 115554482

IUPAC2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H19ClN2/c1-11-9-15(19)14(18)10-17(11)20-16-8-4-6-12-5-2-3-7-13(12)16/h4,6,8-10,20H,2-3,5,7,19H2,1H3
InChIKeyYHAYHHBRMYPJBW-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.85
Rot. Bonds2

About 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine

2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (PubChem CID 115554482) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
PubChem CID115554482
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H19ClN2/c1-11-9-15(19)14(18)10-17(11)20-16-8-4-6-12-5-2-3-7-13(12)16/h4,6,8-10,20H,2-3,5,7,19H2,1H3
InChIKeyYHAYHHBRMYPJBW-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (CID 115554482) is 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1Nc1cccc2c1CCCC2.
What is the InChIKey of 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The InChIKey is YHAYHHBRMYPJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-11-9-15(19)14(18)10-17(11)20-16-8-4-6-12-5-2-3-7-13(12)16/h4,6,8-10,20H,2-3,5,7,19H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine has a molecular weight of 286.81 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine is sourced from PubChem (CID 115554482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).