6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C16H25Cl2N — CID 91826447

IUPAC6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CCC)C1CCc2cc(Cl)ccc2C1.Cl
InChIInChI=1S/C16H24ClN.ClH/c1-3-9-18(10-4-2)16-8-6-13-11-15(17)7-5-14(13)12-16;/h5,7,11,16H,3-4,6,8-10,12H2,1-2H3;1H
InChIKeyRUPKPEDJJAADJK-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.74
Rot. Bonds5

About 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 91826447) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID91826447
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CCC)C1CCc2cc(Cl)ccc2C1.Cl
InChIInChI=1S/C16H24ClN.ClH/c1-3-9-18(10-4-2)16-8-6-13-11-15(17)7-5-14(13)12-16;/h5,7,11,16H,3-4,6,8-10,12H2,1-2H3;1H
InChIKeyRUPKPEDJJAADJK-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
CID 47540982
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 47540985
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 6305587
8-chloro-7-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19032654
4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
CID 95172612
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol
CID 111332758
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 91826447) is 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN(CCC)C1CCc2cc(Cl)ccc2C1.Cl.
What is the InChIKey of 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is RUPKPEDJJAADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN.ClH/c1-3-9-18(10-4-2)16-8-6-13-11-15(17)7-5-14(13)12-16;/h5,7,11,16H,3-4,6,8-10,12H2,1-2H3;1H.
What are the key properties of 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 302.29 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 91826447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).