1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine

C15H21ClN2 — CID 103975645

IUPAC1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H21ClN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3
InChIKeyUQDGLXPGLZWVTM-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.00
Rot. Bonds2

About 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine

1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975645) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103975645
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H21ClN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3
InChIKeyUQDGLXPGLZWVTM-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 113360675
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine
CID 103575624
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine
CID 103351970
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
1-[1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 112630214
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-3-amine
CID 116531458
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine (CID 103975645) is 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CCc3cc(Cl)ccc32)C1.
What is the InChIKey of 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is UQDGLXPGLZWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10(17)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)15/h3-4,8,10,12,15H,2,5-7,9,17H2,1H3.
What are the key properties of 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 264.80 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).