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

C16H17ClN2 — CID 115468885

IUPAC4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19H,5,7,9,18H2
InChIKeyUMVKQAYSUBJHPU-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.89
Rot. Bonds2

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

4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 115468885) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
PubChem CID115468885
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19H,5,7,9,18H2
InChIKeyUMVKQAYSUBJHPU-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.89
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-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43755235
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
4-bromo-5-fluoro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 116735834
4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 63598199
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine
CID 62303915
6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
CID 79825418
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (CID 115468885) is 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is Nc1ccc(Cl)cc1NC1CCc2ccccc2C1.
What is the InChIKey of 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is UMVKQAYSUBJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19H,5,7,9,18H2.
What are the key properties of 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine has a molecular weight of 272.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115468885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).