2-(7-chloro-1H-inden-2-yl)propan-1-amine

C12H14ClN — CID 105461403

IUPAC2-(7-chloro-1H-inden-2-yl)propan-1-amine
SMILESCC(CN)C1=Cc2cccc(Cl)c2C1
InChIInChI=1S/C12H14ClN/c1-8(7-14)10-5-9-3-2-4-12(13)11(9)6-10/h2-5,8H,6-7,14H2,1H3
InChIKeySNGLLQKQCLQYJY-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.87
Rot. Bonds2

About 2-(7-chloro-1H-inden-2-yl)propan-1-amine

2-(7-chloro-1H-inden-2-yl)propan-1-amine (PubChem CID 105461403) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(7-chloro-1H-inden-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1H-inden-2-yl)propan-1-amine
PubChem CID105461403
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name2-(7-chloro-1H-inden-2-yl)propan-1-amine
SMILESCC(CN)C1=Cc2cccc(Cl)c2C1
InChIInChI=1S/C12H14ClN/c1-8(7-14)10-5-9-3-2-4-12(13)11(9)6-10/h2-5,8H,6-7,14H2,1H3
InChIKeySNGLLQKQCLQYJY-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-inden-2-yl)propan-1-amine?
The IUPAC name of 2-(7-chloro-1H-inden-2-yl)propan-1-amine (CID 105461403) is 2-(7-chloro-1H-inden-2-yl)propan-1-amine.
What is the SMILES notation for 2-(7-chloro-1H-inden-2-yl)propan-1-amine?
The canonical SMILES for 2-(7-chloro-1H-inden-2-yl)propan-1-amine is CC(CN)C1=Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-(7-chloro-1H-inden-2-yl)propan-1-amine?
The InChIKey is SNGLLQKQCLQYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8(7-14)10-5-9-3-2-4-12(13)11(9)6-10/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 2-(7-chloro-1H-inden-2-yl)propan-1-amine?
2-(7-chloro-1H-inden-2-yl)propan-1-amine has a molecular weight of 207.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-inden-2-yl)propan-1-amine is sourced from PubChem (CID 105461403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).