2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine

C16H18N2 — CID 62305429

IUPAC2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
SMILESNc1ccccc1NC1CCCc2ccccc21
InChIInChI=1S/C16H18N2/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,18H,5,7,11,17H2
InChIKeyVEKGJJXBOHHKPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.76
Rot. Bonds2

About 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine

2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine (PubChem CID 62305429) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
PubChem CID62305429
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
SMILESNc1ccccc1NC1CCCc2ccccc21
InChIInChI=1S/C16H18N2/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,18H,5,7,11,17H2
InChIKeyVEKGJJXBOHHKPM-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62506812
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
6-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 80908064
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63452223
5-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzenecarbothioamide
CID 114891692
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine (CID 62305429) is 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine is Nc1ccccc1NC1CCCc2ccccc21.
What is the InChIKey of 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine?
The InChIKey is VEKGJJXBOHHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,18H,5,7,11,17H2.
What are the key properties of 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine?
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 62305429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).