5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride

C15H17Cl2N3 — CID 66980585

IUPAC5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
SMILESCl.NC1CC1c1ccc(NCc2cccc(Cl)c2)nc1
InChIInChI=1S/C15H16ClN3.ClH/c16-12-3-1-2-10(6-12)8-18-15-5-4-11(9-19-15)13-7-14(13)17;/h1-6,9,13-14H,7-8,17H2,(H,18,19);1H
InChIKeyLTPSQIHMHBJHEO-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.58
Rot. Bonds4

About 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride

5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride (PubChem CID 66980585) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
PubChem CID66980585
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
SMILESCl.NC1CC1c1ccc(NCc2cccc(Cl)c2)nc1
InChIInChI=1S/C15H16ClN3.ClH/c16-12-3-1-2-10(6-12)8-18-15-5-4-11(9-19-15)13-7-14(13)17;/h1-6,9,13-14H,7-8,17H2,(H,18,19);1H
InChIKeyLTPSQIHMHBJHEO-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride?
The IUPAC name of 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride (CID 66980585) is 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride is Cl.NC1CC1c1ccc(NCc2cccc(Cl)c2)nc1.
What is the InChIKey of 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride?
The InChIKey is LTPSQIHMHBJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3.ClH/c16-12-3-1-2-10(6-12)8-18-15-5-4-11(9-19-15)13-7-14(13)17;/h1-6,9,13-14H,7-8,17H2,(H,18,19);1H.
What are the key properties of 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride?
5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride has a molecular weight of 310.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 66980585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).