2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine

C14H23ClN2 — CID 106252450

IUPAC2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CC)(CCl)CNCc1cccc(C)n1
InChIInChI=1S/C14H23ClN2/c1-4-14(5-2,10-15)11-16-9-13-8-6-7-12(3)17-13/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyOEDGYLMFQVOOQB-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.52
Rot. Bonds7

About 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine

2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 106252450) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
PubChem CID106252450
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CC)(CCl)CNCc1cccc(C)n1
InChIInChI=1S/C14H23ClN2/c1-4-14(5-2,10-15)11-16-9-13-8-6-7-12(3)17-13/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyOEDGYLMFQVOOQB-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.52
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-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79261330
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
CID 79623760
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
N-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252455
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62332060
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine (CID 106252450) is 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine is CCC(CC)(CCl)CNCc1cccc(C)n1.
What is the InChIKey of 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is OEDGYLMFQVOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-14(5-2,10-15)11-16-9-13-8-6-7-12(3)17-13/h6-8,16H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine?
2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 254.80 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 106252450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).