4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine

C17H20N2 — CID 62911091

IUPAC4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2cccc3c2CCCC3)cc1N
InChIInChI=1S/C17H20N2/c1-12-9-10-14(11-16(12)18)19-17-8-4-6-13-5-2-3-7-15(13)17/h4,6,8-11,19H,2-3,5,7,18H2,1H3
InChIKeyVWFLKMQNBUMXDK-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.20
Rot. Bonds2

About 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine

4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine (PubChem CID 62911091) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
PubChem CID62911091
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2cccc3c2CCCC3)cc1N
InChIInChI=1S/C17H20N2/c1-12-9-10-14(11-16(12)18)19-17-8-4-6-13-5-2-3-7-15(13)17/h4,6,8-11,19H,2-3,5,7,18H2,1H3
InChIKeyVWFLKMQNBUMXDK-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.20
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 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine (CID 62911091) is 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine is Cc1ccc(Nc2cccc3c2CCCC3)cc1N.
What is the InChIKey of 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The InChIKey is VWFLKMQNBUMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-9-10-14(11-16(12)18)19-17-8-4-6-13-5-2-3-7-15(13)17/h4,6,8-11,19H,2-3,5,7,18H2,1H3.
What are the key properties of 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine is sourced from PubChem (CID 62911091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).