4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane

C18H22Cl2N2 — CID 143284992

IUPAC4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane
SMILESCC.NC1CCC(N)(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16Cl2N2.C2H6/c17-13-6-5-10(9-14(13)18)16(20)8-7-15(19)11-3-1-2-4-12(11)16;1-2/h1-6,9,15H,7-8,19-20H2;1-2H3
InChIKeyDCHDUUZHGLKDRF-UHFFFAOYSA-N
MW337.29 g/mol
LogP5.02
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane

4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane (PubChem CID 143284992) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane
PubChem CID143284992
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC Name4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane
SMILESCC.NC1CCC(N)(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16Cl2N2.C2H6/c17-13-6-5-10(9-14(13)18)16(20)8-7-15(19)11-3-1-2-4-12(11)16;1-2/h1-6,9,15H,7-8,19-20H2;1-2H3
InChIKeyDCHDUUZHGLKDRF-UHFFFAOYSA-N
XLogP5.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.29
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine
CID 134340247
(4R)-4-amino-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ol;(1R)-4-(3,4-dichlorophenyl)-4-hydroperoxy-2,3-dihydro-1H-naphthalen-1-amine;methane
CID 159469211
4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
CID 112562268
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84621337
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
CID 112567366
(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 46781183
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane?
The IUPAC name of 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane (CID 143284992) is 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane is CC.NC1CCC(N)(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane?
The InChIKey is DCHDUUZHGLKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2.C2H6/c17-13-6-5-10(9-14(13)18)16(20)8-7-15(19)11-3-1-2-4-12(11)16;1-2/h1-6,9,15H,7-8,19-20H2;1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane?
4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane has a molecular weight of 337.29 g/mol, XLogP of 5.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane is sourced from PubChem (CID 143284992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).