N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine

C14H15Cl2N3O — CID 63760594

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Cl)cc2Cl)cc1CN
InChIInChI=1S/C14H15Cl2N3O/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)
InChIKeyPFBDTPHURZSHOD-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.99
Rot. Bonds5

About N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine

N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine (PubChem CID 63760594) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
PubChem CID63760594
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Cl)cc2Cl)cc1CN
InChIInChI=1S/C14H15Cl2N3O/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)
InChIKeyPFBDTPHURZSHOD-UHFFFAOYSA-N
XLogP3.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.99
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]-5-methylpyridazin-3-amine
CID 106550771
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
CID 137008443
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65278006
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine (CID 63760594) is N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine is CCOc1ccc(Nc2ncc(Cl)cc2Cl)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine?
The InChIKey is PFBDTPHURZSHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/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]-3,5-dichloropyridin-2-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine has a molecular weight of 312.20 g/mol, XLogP of 3.99, 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]-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 63760594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).