2-chloro-2,3-dihydro-1H-inden-1-amine

C9H10ClN — CID 2794190

IUPAC2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cl
InChIInChI=1S/C9H10ClN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2
InChIKeyPHUGLTBYXURQLG-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.85
Rot. Bonds

About 2-chloro-2,3-dihydro-1H-inden-1-amine

2-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 2794190) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID2794190
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Cl
InChIInChI=1S/C9H10ClN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2
InChIKeyPHUGLTBYXURQLG-UHFFFAOYSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
CID 11435788
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-chloro-2,3-dihydro-1H-inden-1-amine (CID 2794190) is 2-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-chloro-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Cl.
What is the InChIKey of 2-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PHUGLTBYXURQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2.
What are the key properties of 2-chloro-2,3-dihydro-1H-inden-1-amine?
2-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 167.64 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 2794190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).