2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine

C16H17ClN2 — CID 112655443

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H17ClN2/c17-15-10-19-7-6-13(15)9-16(18)14-5-4-11-2-1-3-12(11)8-14/h4-8,10,16H,1-3,9,18H2
InChIKeyVXKFVGVDXPNJQN-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 112655443) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
PubChem CID112655443
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H17ClN2/c17-15-10-19-7-6-13(15)9-16(18)14-5-4-11-2-1-3-12(11)8-14/h4-8,10,16H,1-3,9,18H2
InChIKeyVXKFVGVDXPNJQN-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-3-ylethanamine
CID 105034568
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826448
[2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105293143
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine (CID 112655443) is 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine is NC(Cc1ccncc1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The InChIKey is VXKFVGVDXPNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-10-19-7-6-13(15)9-16(18)14-5-4-11-2-1-3-12(11)8-14/h4-8,10,16H,1-3,9,18H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 272.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 112655443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).