2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine

C17H22N2O2 — CID 43784042

IUPAC2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-17-16(6-5-11-18-17)19-12-14-7-9-15(10-8-14)21-13(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJZNITWUCCQJLSP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.88
Rot. Bonds7

About 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine

2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine (PubChem CID 43784042) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
PubChem CID43784042
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-20-17-16(6-5-11-18-17)19-12-14-7-9-15(10-8-14)21-13(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJZNITWUCCQJLSP-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43782408
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine (CID 43784042) is 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine is CCOc1ncccc1NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
The InChIKey is JZNITWUCCQJLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-20-17-16(6-5-11-18-17)19-12-14-7-9-15(10-8-14)21-13(2)3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine?
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43784042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).