1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride

C10H16Cl3N — CID 67686398

IUPAC1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCc2ccccc2C1
InChIInChI=1S/C10H13N.3ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;;;/h1-4,10H,5-7,11H2;3*1H
InChIKeyYVOHVQRVBSHTEQ-UHFFFAOYSA-N
MW256.60 g/mol
LogP2.77
Rot. Bonds

About 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride

1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride (PubChem CID 67686398) has the molecular formula C10H16Cl3N and a molecular weight of 256.60 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
PubChem CID67686398
Molecular FormulaC10H16Cl3N
Molecular Weight256.60 g/mol
Exact Mass255.03
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCc2ccccc2C1
InChIInChI=1S/C10H13N.3ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;;;/h1-4,10H,5-7,11H2;3*1H
InChIKeyYVOHVQRVBSHTEQ-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
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2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578
8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61236085
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
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1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride (CID 67686398) is 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride is Cl.Cl.Cl.NC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
The InChIKey is YVOHVQRVBSHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.3ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;;;/h1-4,10H,5-7,11H2;3*1H.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride?
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride has a molecular weight of 256.60 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride is sourced from PubChem (CID 67686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).