4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine

C17H15Cl2N — CID 169438227

IUPAC4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILES[2H]C([2H])([2H])/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3/b20-17+/i1D3
InChIKeyMGBVAZJASCWJGJ-MNGBRVCISA-N
MW307.24 g/mol
LogP5.34
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine

4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 169438227) has the molecular formula C17H15Cl2N and a molecular weight of 307.24 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID169438227
Molecular FormulaC17H15Cl2N
Molecular Weight307.24 g/mol
Exact Mass306.08
IUPAC Name4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILES[2H]C([2H])([2H])/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3/b20-17+/i1D3
InChIKeyMGBVAZJASCWJGJ-MNGBRVCISA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.24
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 45280211
CID 45280211
(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 138728521
N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 73033678
(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 69098024
(NE,R)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 71315985
1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
CID 59143933
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one;2-methylpropane-2-sulfinimidic acid
CID 87085693
(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 87161945
(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
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine (CID 169438227) is 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine is [2H]C([2H])([2H])/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is MGBVAZJASCWJGJ-MNGBRVCISA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3/b20-17+/i1D3.
What are the key properties of 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine?
4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 307.24 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 169438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).