N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine

C14H15BrClN3O — CID 103584223

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Br)cc2Cl)cc1CN
InChIInChI=1S/C14H15BrClN3O/c1-2-20-13-4-3-11(5-9(13)7-17)19-14-12(16)6-10(15)8-18-14/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyRQTTXBHCGHJRIU-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.10
Rot. Bonds5

About N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine

N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine (PubChem CID 103584223) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
PubChem CID103584223
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Br)cc2Cl)cc1CN
InChIInChI=1S/C14H15BrClN3O/c1-2-20-13-4-3-11(5-9(13)7-17)19-14-12(16)6-10(15)8-18-14/h3-6,8H,2,7,17H2,1H3,(H,18,19)
InChIKeyRQTTXBHCGHJRIU-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 103583037
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine (CID 103584223) is N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine is CCOc1ccc(Nc2ncc(Br)cc2Cl)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine?
The InChIKey is RQTTXBHCGHJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-2-20-13-4-3-11(5-9(13)7-17)19-14-12(16)6-10(15)8-18-14/h3-6,8H,2,7,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine has a molecular weight of 356.65 g/mol, XLogP of 4.10, 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]-5-bromo-3-chloropyridin-2-amine is sourced from PubChem (CID 103584223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).