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

C15H15ClN2 — CID 81300399

IUPAC5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1cccnc1)C2
InChIInChI=1S/C15H15ClN2/c16-14-4-3-12-7-15(8-13(12)6-14)18-10-11-2-1-5-17-9-11/h1-6,9,15,18H,7-8,10H2
InChIKeyXYBUHWUEAWELJJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81300399) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81300399
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1cccnc1)C2
InChIInChI=1S/C15H15ClN2/c16-14-4-3-12-7-15(8-13(12)6-14)18-10-11-2-1-5-17-9-11/h1-6,9,15,18H,7-8,10H2
InChIKeyXYBUHWUEAWELJJ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
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
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343769
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343933
(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42521409
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 81300399) is 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCc1cccnc1)C2.
What is the InChIKey of 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XYBUHWUEAWELJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-4-3-12-7-15(8-13(12)6-14)18-10-11-2-1-5-17-9-11/h1-6,9,15,18H,7-8,10H2.
What are the key properties of 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81300399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).