1-(2-chloroethyl)-2,3-dihydroinden-1-amine

C11H14ClN — CID 172761296

IUPAC1-(2-chloroethyl)-2,3-dihydroinden-1-amine
SMILESNC1(CCCl)CCc2ccccc21
InChIInChI=1S/C11H14ClN/c12-8-7-11(13)6-5-9-3-1-2-4-10(9)11/h1-4H,5-8,13H2
InChIKeyLSHYCSHCVPSBHU-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-chloroethyl)-2,3-dihydroinden-1-amine

1-(2-chloroethyl)-2,3-dihydroinden-1-amine (PubChem CID 172761296) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2-chloroethyl)-2,3-dihydroinden-1-amine
PubChem CID172761296
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(2-chloroethyl)-2,3-dihydroinden-1-amine
SMILESNC1(CCCl)CCc2ccccc21
InChIInChI=1S/C11H14ClN/c12-8-7-11(13)6-5-9-3-1-2-4-10(9)11/h1-4H,5-8,13H2
InChIKeyLSHYCSHCVPSBHU-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.42
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

[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
CID 114271563
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 112592209
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 62622359
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2-chloroethyl)-2,3-dihydroinden-1-amine (CID 172761296) is 1-(2-chloroethyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2-chloroethyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2-chloroethyl)-2,3-dihydroinden-1-amine is NC1(CCCl)CCc2ccccc21.
What is the InChIKey of 1-(2-chloroethyl)-2,3-dihydroinden-1-amine?
The InChIKey is LSHYCSHCVPSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-8-7-11(13)6-5-9-3-1-2-4-10(9)11/h1-4H,5-8,13H2.
What are the key properties of 1-(2-chloroethyl)-2,3-dihydroinden-1-amine?
1-(2-chloroethyl)-2,3-dihydroinden-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 172761296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).