2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

C16H17ClN2 — CID 112651365

IUPAC2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccnc1CNC1c2ccccc2CC1Cl
InChIInChI=1S/C16H17ClN2/c1-11-5-4-8-18-15(11)10-19-16-13-7-3-2-6-12(13)9-14(16)17/h2-8,14,16,19H,9-10H2,1H3
InChIKeyIRKWZTXLFBXSDO-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 112651365) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID112651365
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccnc1CNC1c2ccccc2CC1Cl
InChIInChI=1S/C16H17ClN2/c1-11-5-4-8-18-15(11)10-19-16-13-7-3-2-6-12(13)9-14(16)17/h2-8,14,16,19H,9-10H2,1H3
InChIKeyIRKWZTXLFBXSDO-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine 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

2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81344909
2-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115518416
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024641
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63771252
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(3-methyl-2-pyridinyl)methyl]adamantan-2-amine
CID 63305916
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 112651365) is 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1cccnc1CNC1c2ccccc2CC1Cl.
What is the InChIKey of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IRKWZTXLFBXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-5-4-8-18-15(11)10-19-16-13-7-3-2-6-12(13)9-14(16)17/h2-8,14,16,19H,9-10H2,1H3.
What are the key properties of 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 272.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 112651365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).