N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine

C11H17ClN2 — CID 81238160

IUPACN-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
SMILESCCC(C)N(C)c1ccncc1CCl
InChIInChI=1S/C11H17ClN2/c1-4-9(2)14(3)11-5-6-13-8-10(11)7-12/h5-6,8-9H,4,7H2,1-3H3
InChIKeySMFFHWPPRCIQIS-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.06
Rot. Bonds4

About N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine

N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine (PubChem CID 81238160) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
PubChem CID81238160
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
SMILESCCC(C)N(C)c1ccncc1CCl
InChIInChI=1S/C11H17ClN2/c1-4-9(2)14(3)11-5-6-13-8-10(11)7-12/h5-6,8-9H,4,7H2,1-3H3
InChIKeySMFFHWPPRCIQIS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 81246169
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
CID 81238500
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238589
[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine?
The IUPAC name of N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine (CID 81238160) is N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine is CCC(C)N(C)c1ccncc1CCl.
What is the InChIKey of N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine?
The InChIKey is SMFFHWPPRCIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-9(2)14(3)11-5-6-13-8-10(11)7-12/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine?
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 81238160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).