1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine

C9H13ClN2 — CID 55294166

IUPAC1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-6(2)9(11)7-3-4-12-8(10)5-7/h3-6,9H,11H2,1-2H3
InChIKeyGUVADHISWCSGPA-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine

1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine (PubChem CID 55294166) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
PubChem CID55294166
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-6(2)9(11)7-3-4-12-8(10)5-7/h3-6,9H,11H2,1-2H3
InChIKeyGUVADHISWCSGPA-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
1-(2-chloro-6-methyl-4-pyridinyl)-2-methylpropan-1-amine
CID 55271130
(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
CID 170817359
4-(1-amino-2-methylpropyl)-2-chloroaniline
CID 55271979
5-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
CID 156789427
[1-(2-chloro-4-pyridinyl)-3-methylpentyl]hydrazine
CID 105252813
[1-(2-chloro-4-pyridinyl)-2-propan-2-yloxyethyl]hydrazine
CID 105252867
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
(1S)-1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130714020
methyl 3-amino-3-(2-chloro-4-pyridinyl)propanoate;dihydrochloride
CID 170920851

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine (CID 55294166) is 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine is CC(C)C(N)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is GUVADHISWCSGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)9(11)7-3-4-12-8(10)5-7/h3-6,9H,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine?
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 184.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55294166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).