N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H18N2O — CID 43600014

IUPACN-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNc1ccccc1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H18N2O/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-4,6,8,10-11,14H,5,7,9,18H2,(H,19,20)
InChIKeyGSJTYZRZSXQLFQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.33
Rot. Bonds2

About N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 43600014) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID43600014
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNc1ccccc1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H18N2O/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-4,6,8,10-11,14H,5,7,9,18H2,(H,19,20)
InChIKeyGSJTYZRZSXQLFQ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55673060
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933448

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 43600014) is N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Nc1ccccc1NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GSJTYZRZSXQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h1-4,6,8,10-11,14H,5,7,9,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 43600014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).