1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H18Cl2N2 — CID 79736960

IUPAC1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c1-10(11-2-6-15(18)16(19)9-11)21-17-7-3-12-8-13(20)4-5-14(12)17/h2,4-6,8-10,17,21H,3,7,20H2,1H3
InChIKeyJTSSPLWKYMADTR-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.91
Rot. Bonds3

About 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79736960) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79736960
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c1-10(11-2-6-15(18)16(19)9-11)21-17-7-3-12-8-13(20)4-5-14(12)17/h2,4-6,8-10,17,21H,3,7,20H2,1H3
InChIKeyJTSSPLWKYMADTR-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
4-[1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzonitrile
CID 79725526
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687127

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79736960) is 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is CC(NC1CCc2cc(N)ccc21)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is JTSSPLWKYMADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-10(11-2-6-15(18)16(19)9-11)21-17-7-3-12-8-13(20)4-5-14(12)17/h2,4-6,8-10,17,21H,3,7,20H2,1H3.
What are the key properties of 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 321.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79736960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).