1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine

C11H17ClN2 — CID 79261330

IUPAC1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1cccc(CNC(C)(C)CCl)n1
InChIInChI=1S/C11H17ClN2/c1-9-5-4-6-10(14-9)7-13-11(2,3)8-12/h4-6,13H,7-8H2,1-3H3
InChIKeyLVCCJKWOOWIANS-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.50
Rot. Bonds4

About 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine

1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 79261330) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
PubChem CID79261330
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1cccc(CNC(C)(C)CCl)n1
InChIInChI=1S/C11H17ClN2/c1-9-5-4-6-10(14-9)7-13-11(2,3)8-12/h4-6,13H,7-8H2,1-3H3
InChIKeyLVCCJKWOOWIANS-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 65026847
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
CID 106252450
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine (CID 79261330) is 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine is Cc1cccc(CNC(C)(C)CCl)n1.
What is the InChIKey of 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is LVCCJKWOOWIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-5-4-6-10(14-9)7-13-11(2,3)8-12/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine?
1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 212.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 79261330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).