N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine

C14H18N4O — CID 106550771

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
SMILESCCOc1ccc(Nc2cc(C)cnn2)cc1CN
InChIInChI=1S/C14H18N4O/c1-3-19-13-5-4-12(7-11(13)8-15)17-14-6-10(2)9-16-18-14/h4-7,9H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyYHVXUIIRTCJNPO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds5

About N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine

N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine (PubChem CID 106550771) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
PubChem CID106550771
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
SMILESCCOc1ccc(Nc2cc(C)cnn2)cc1CN
InChIInChI=1S/C14H18N4O/c1-3-19-13-5-4-12(7-11(13)8-15)17-14-6-10(2)9-16-18-14/h4-7,9H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyYHVXUIIRTCJNPO-UHFFFAOYSA-N
XLogP2.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
CID 137008443
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65278006
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162
N-[3-(3-aminopropyl)phenyl]-5-methylpyridazin-3-amine
CID 106550800
N-[3-(chloromethyl)-4-ethoxyphenyl]-6-ethylpyrimidin-4-amine
CID 65028591
N-[3-(chloromethyl)-4-ethoxyphenyl]-5-methoxypyridin-2-amine
CID 106505088

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine (CID 106550771) is N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine is CCOc1ccc(Nc2cc(C)cnn2)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine?
The InChIKey is YHVXUIIRTCJNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-19-13-5-4-12(7-11(13)8-15)17-14-6-10(2)9-16-18-14/h4-7,9H,3,8,15H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).