2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine

C16H17ClN2 — CID 65378129

IUPAC2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine
SMILESNCC1(Nc2ccccc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-14-7-3-4-8-15(14)19-16(11-18)9-12-5-1-2-6-13(12)10-16/h1-8,19H,9-11,18H2
InChIKeyQHXGQNQCXWMTGB-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.25
Rot. Bonds3

About 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine (PubChem CID 65378129) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine
PubChem CID65378129
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine
SMILESNCC1(Nc2ccccc2Cl)Cc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-14-7-3-4-8-15(14)19-16(11-18)9-12-5-1-2-6-13(12)10-16/h1-8,19H,9-11,18H2
InChIKeyQHXGQNQCXWMTGB-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine (CID 65378129) is 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine is NCC1(Nc2ccccc2Cl)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine?
The InChIKey is QHXGQNQCXWMTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-7-3-4-8-15(14)19-16(11-18)9-12-5-1-2-6-13(12)10-16/h1-8,19H,9-11,18H2.
What are the key properties of 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine has a molecular weight of 272.78 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 65378129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).