(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine

C9H13ClN2 — CID 130649369

IUPAC(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(2)8(11)7-4-3-5-12-9(7)10/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeySZHCKSBDUGNYJO-QMMMGPOBSA-N
MW184.67 g/mol
LogP2.39
Rot. Bonds2

About (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine

(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 130649369) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID130649369
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-6(2)8(11)7-4-3-5-12-9(7)10/h3-6,8H,11H2,1-2H3/t8-/m0/s1
InChIKeySZHCKSBDUGNYJO-QMMMGPOBSA-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)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
(1S)-1-(3-bromo-2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 130968986
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
bis(2-chloro-3-pyridinyl)methanol
CID 14691920
(2-chloro-3-pyridinyl)methanediol
CID 163733643
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
(R)-(2-chloro-3-pyridinyl)-cyclobutylmethanamine
CID 131061254
(R)-(2-chloro-3-pyridinyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171190955

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine (CID 130649369) is (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine is CC(C)[C@H](N)c1cccnc1Cl.
What is the InChIKey of (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is SZHCKSBDUGNYJO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)8(11)7-4-3-5-12-9(7)10/h3-6,8H,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine?
(1S)-1-(2-chloro-3-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 (1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130649369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).