N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine

C14H16BrN3O — CID 104779539

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
SMILESCCOc1ccc(Nc2ccncc2Br)cc1CN
InChIInChI=1S/C14H16BrN3O/c1-2-19-14-4-3-11(7-10(14)8-16)18-13-5-6-17-9-12(13)15/h3-7,9H,2,8,16H2,1H3,(H,17,18)
InChIKeyDNRGZNFPVNCWQG-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.45
Rot. Bonds5

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

N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine (PubChem CID 104779539) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
PubChem CID104779539
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
SMILESCCOc1ccc(Nc2ccncc2Br)cc1CN
InChIInChI=1S/C14H16BrN3O/c1-2-19-14-4-3-11(7-10(14)8-16)18-13-5-6-17-9-12(13)15/h3-7,9H,2,8,16H2,1H3,(H,17,18)
InChIKeyDNRGZNFPVNCWQG-UHFFFAOYSA-N
XLogP3.45
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 104778246
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
CID 63755308
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
CID 137008443
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine (CID 104779539) is N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine is CCOc1ccc(Nc2ccncc2Br)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine?
The InChIKey is DNRGZNFPVNCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-19-14-4-3-11(7-10(14)8-16)18-13-5-6-17-9-12(13)15/h3-7,9H,2,8,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine is sourced from PubChem (CID 104779539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).