[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride

C17H18Cl3N — CID 85390722

IUPAC[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride
SMILESC[NH2+]C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.[Cl-]
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H
InChIKeyBLFQGGGGFNSJKA-UHFFFAOYSA-N
MW342.70 g/mol
LogP1.16
Rot. Bonds2

About [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride

[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride (PubChem CID 85390722) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride
PubChem CID85390722
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride
SMILESC[NH2+]C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.[Cl-]
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H
InChIKeyBLFQGGGGFNSJKA-UHFFFAOYSA-N
XLogP1.16
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 46781183
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]hydrazine
CID 67940115
(1S,4S)-4-(3,4-dichlorophenyl)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 101168921
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate
CID 143552740
4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
CID 44608252

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride?
The IUPAC name of [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride (CID 85390722) is [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride.
What is the SMILES notation for [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride?
The canonical SMILES for [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride is C[NH2+]C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.[Cl-].
What is the InChIKey of [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride?
The InChIKey is BLFQGGGGFNSJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H.
What are the key properties of [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride?
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride has a molecular weight of 342.70 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride is sourced from PubChem (CID 85390722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).