4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

C12H20ClN3O — CID 107055721

IUPAC4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1nccc(CN)c1Cl)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(6-7-17-3)12-11(13)10(8-14)4-5-15-12/h4-5,9H,6-8,14H2,1-3H3
InChIKeyBXCKNBHRIYQTRB-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.05
Rot. Bonds6

About 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 107055721) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID107055721
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1nccc(CN)c1Cl)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(6-7-17-3)12-11(13)10(8-14)4-5-15-12/h4-5,9H,6-8,14H2,1-3H3
InChIKeyBXCKNBHRIYQTRB-UHFFFAOYSA-N
XLogP2.05
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
2-(aminomethyl)-6-chloro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114068782
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
5-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 82949133
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (CID 107055721) is 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is COCCN(c1nccc(CN)c1Cl)C(C)C.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is BXCKNBHRIYQTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9(2)16(6-7-17-3)12-11(13)10(8-14)4-5-15-12/h4-5,9H,6-8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107055721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).