4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine

C13H21ClN2O2 — CID 105067390

IUPAC4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCCN(c1cnccc1CCl)C(C)COC
InChIInChI=1S/C13H21ClN2O2/c1-11(10-18-3)16(6-7-17-2)13-9-15-5-4-12(13)8-14/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyFQGRLUJMBBJNIQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.31
Rot. Bonds8

About 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine

4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine (PubChem CID 105067390) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
PubChem CID105067390
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCCN(c1cnccc1CCl)C(C)COC
InChIInChI=1S/C13H21ClN2O2/c1-11(10-18-3)16(6-7-17-2)13-9-15-5-4-12(13)8-14/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyFQGRLUJMBBJNIQ-UHFFFAOYSA-N
XLogP2.31
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
5-bromo-2-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005331
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073489
4-(chloromethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005281
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 55005343
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 82948128
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine (CID 105067390) is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine is COCCN(c1cnccc1CCl)C(C)COC.
What is the InChIKey of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The InChIKey is FQGRLUJMBBJNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-11(10-18-3)16(6-7-17-2)13-9-15-5-4-12(13)8-14/h4-5,9,11H,6-8,10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine?
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine has a molecular weight of 272.78 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 105067390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).