N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine

C12H19ClN2 — CID 118531495

IUPACN-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
SMILESCCN(Cc1ccnc(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H19ClN2/c1-5-15(12(2,3)4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3
InChIKeyWJBMXAXSDZFUSV-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.36
Rot. Bonds3

About N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine

N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine (PubChem CID 118531495) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
PubChem CID118531495
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
SMILESCCN(Cc1ccnc(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H19ClN2/c1-5-15(12(2,3)4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3
InChIKeyWJBMXAXSDZFUSV-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.36
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

N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484205
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783
N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611804
2-chloro-4-(chloromethyl)pyridine
CID 11126573
2-[(2-chloro-4-pyridinyl)methyl-(cyanomethyl)amino]acetonitrile
CID 62469809
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
(2-chloro-4-pyridinyl)methanol
CID 7062237
2-chloro-4-hexadecylpyridine
CID 170566187

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine (CID 118531495) is N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine is CCN(Cc1ccnc(Cl)c1)C(C)(C)C.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine?
The InChIKey is WJBMXAXSDZFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-5-15(12(2,3)4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine?
N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine is sourced from PubChem (CID 118531495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).