3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine

C10H14Cl2N2 — CID 130588443

IUPAC3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
SMILESCc1nccc(N(C)C(C)CCl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-7(6-11)14(3)9-4-5-13-8(2)10(9)12/h4-5,7H,6H2,1-3H3
InChIKeyMEMPJCWCPKTZQC-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine

3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine (PubChem CID 130588443) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
PubChem CID130588443
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
SMILESCc1nccc(N(C)C(C)CCl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-7(6-11)14(3)9-4-5-13-8(2)10(9)12/h4-5,7H,6H2,1-3H3
InChIKeyMEMPJCWCPKTZQC-UHFFFAOYSA-N
XLogP3.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.11
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

N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 104555444
N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
CID 104555424
3-chloro-2,4-dimethylpyridine
CID 12508368
N-(1-chloropropan-2-yl)-N-methylfuro[3,2-c]pyridin-4-amine
CID 106535724
N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
CID 104555379
3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
CID 150221933
3-chloro-2-methyl-4-methylsulfanylpyridine
CID 167047809
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
CID 104555420
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
3-chloro-2-methylpyridin-4-amine
CID 13419573
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine?
The IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine (CID 130588443) is 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine is Cc1nccc(N(C)C(C)CCl)c1Cl.
What is the InChIKey of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine?
The InChIKey is MEMPJCWCPKTZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-7(6-11)14(3)9-4-5-13-8(2)10(9)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine?
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine has a molecular weight of 233.14 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 130588443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).