2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C15H15ClN2 — CID 65024916

IUPAC2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCc1cccnc1
InChIInChI=1S/C15H15ClN2/c16-14-8-12-5-1-2-6-13(12)15(14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10H2
InChIKeyDPBQJJWVQNJDMV-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 65024916) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID65024916
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCc1cccnc1
InChIInChI=1S/C15H15ClN2/c16-14-8-12-5-1-2-6-13(12)15(14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10H2
InChIKeyDPBQJJWVQNJDMV-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-3-ylacetamide
CID 62690720
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
CID 103860604
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024641
3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365084
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 65024916) is 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is ClC1Cc2ccccc2C1NCc1cccnc1.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DPBQJJWVQNJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-8-12-5-1-2-6-13(12)15(14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10H2.
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 258.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65024916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).