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

C16H18N2 — CID 19849908

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
SMILESNc1ccc(C2CCCc3ccccc32)c(N)c1
InChIInChI=1S/C16H18N2/c17-12-8-9-15(16(18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7,17-18H2
InChIKeyYIXANLYFFVROFE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds1

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

4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine (PubChem CID 19849908) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
PubChem CID19849908
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
SMILESNc1ccc(C2CCCc3ccccc32)c(N)c1
InChIInChI=1S/C16H18N2/c17-12-8-9-15(16(18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7,17-18H2
InChIKeyYIXANLYFFVROFE-UHFFFAOYSA-N
XLogP3.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.32
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

1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
CID 22613084
2-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 13136042
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
CID 140997606
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107615870
5,6-bis[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-2,4-diamine
CID 68967026
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine (CID 19849908) is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine is Nc1ccc(C2CCCc3ccccc32)c(N)c1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
The InChIKey is YIXANLYFFVROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-12-8-9-15(16(18)10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7,17-18H2.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine?
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine is sourced from PubChem (CID 19849908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).