1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H20N2 — CID 81351089

IUPAC1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESC[C@H](NC1CCc2cc(N)ccc21)c1ccccc1
InChIInChI=1S/C17H20N2/c1-12(13-5-3-2-4-6-13)19-17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11-12,17,19H,7,10,18H2,1H3/t12-,17?/m0/s1
InChIKeyFTZOOHHHUPHZAW-WHUIICBVSA-N
MW252.36 g/mol
LogP3.61
Rot. Bonds3

About 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 81351089) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID81351089
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESC[C@H](NC1CCc2cc(N)ccc21)c1ccccc1
InChIInChI=1S/C17H20N2/c1-12(13-5-3-2-4-6-13)19-17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11-12,17,19H,7,10,18H2,1H3/t12-,17?/m0/s1
InChIKeyFTZOOHHHUPHZAW-WHUIICBVSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine 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

1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
4-[1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzonitrile
CID 79725526
1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79736960
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 81351089) is 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine is C[C@H](NC1CCc2cc(N)ccc21)c1ccccc1.
What is the InChIKey of 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is FTZOOHHHUPHZAW-WHUIICBVSA-N. The full InChI is InChI=1S/C17H20N2/c1-12(13-5-3-2-4-6-13)19-17-10-7-14-11-15(18)8-9-16(14)17/h2-6,8-9,11-12,17,19H,7,10,18H2,1H3/t12-,17?/m0/s1.
What are the key properties of 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 81351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).