1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H17Cl2N — CID 142874609

IUPAC1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESClc1ccccc1Cl.N[C@H]1CCCc2ccccc21
InChIInChI=1S/C10H13N.C6H4Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)8/h1-2,4,6,10H,3,5,7,11H2;1-4H/t10-;/m0./s1
InChIKeyQXDXQENWRHGSJM-PPHPATTJSA-N
MW294.23 g/mol
LogP5.02
Rot. Bonds

About 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 142874609) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID142874609
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESClc1ccccc1Cl.N[C@H]1CCCc2ccccc21
InChIInChI=1S/C10H13N.C6H4Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)8/h1-2,4,6,10H,3,5,7,11H2;1-4H/t10-;/m0./s1
InChIKeyQXDXQENWRHGSJM-PPHPATTJSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
CID 79597194

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 142874609) is 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine is Clc1ccccc1Cl.N[C@H]1CCCc2ccccc21.
What is the InChIKey of 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QXDXQENWRHGSJM-PPHPATTJSA-N. The full InChI is InChI=1S/C10H13N.C6H4Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)8/h1-2,4,6,10H,3,5,7,11H2;1-4H/t10-;/m0./s1.
What are the key properties of 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 294.23 g/mol, XLogP of 5.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 142874609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).