2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine

C11H17ClN2 — CID 103756833

IUPAC2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
SMILESCCC(C)CN(C)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-4-9(2)8-14(3)10-5-6-13-11(12)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyKFWXWOJHDRYXJK-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.22
Rot. Bonds4

About 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine

2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine (PubChem CID 103756833) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
PubChem CID103756833
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
SMILESCCC(C)CN(C)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-4-9(2)8-14(3)10-5-6-13-11(12)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyKFWXWOJHDRYXJK-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 61255562
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutyl)aniline
CID 107080150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine (CID 103756833) is 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine is CCC(C)CN(C)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine?
The InChIKey is KFWXWOJHDRYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-9(2)8-14(3)10-5-6-13-11(12)7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine?
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine is sourced from PubChem (CID 103756833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).