ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane

C21H34BN3O2 — CID 91136834

IUPACethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane
SMILESCC.CC.COc1ccc(-c2cccc(N)n2)cc1.O=BCN1CCCC1
InChIInChI=1S/C12H12N2O.C5H10BNO.2C2H6/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(13)14-11;8-6-5-7-3-1-2-4-7;2*1-2/h2-8H,1H3,(H2,13,14);1-5H2;2*1-2H3
InChIKeyBWKJWYHKQWBEKX-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.48
Rot. Bonds4

About ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane

ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane (PubChem CID 91136834) has the molecular formula C21H34BN3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane.

Molecular Properties

Compound Nameethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane
PubChem CID91136834
Molecular FormulaC21H34BN3O2
Molecular Weight371.33 g/mol
Exact Mass371.27
IUPAC Nameethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane
SMILESCC.CC.COc1ccc(-c2cccc(N)n2)cc1.O=BCN1CCCC1
InChIInChI=1S/C12H12N2O.C5H10BNO.2C2H6/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(13)14-11;8-6-5-7-3-1-2-4-7;2*1-2/h2-8H,1H3,(H2,13,14);1-5H2;2*1-2H3
InChIKeyBWKJWYHKQWBEKX-UHFFFAOYSA-N
XLogP4.48
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
6-[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
CID 66624909
N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 70006888
6-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 39834222
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139
3-[6-(4-methoxyphenyl)-2-pyridinyl]propan-1-amine
CID 170878546

Frequently Asked Questions

What is the IUPAC name of ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane?
The IUPAC name of ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane (CID 91136834) is ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane.
What is the SMILES notation for ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane?
The canonical SMILES for ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane is CC.CC.COc1ccc(-c2cccc(N)n2)cc1.O=BCN1CCCC1.
What is the InChIKey of ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane?
The InChIKey is BWKJWYHKQWBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C5H10BNO.2C2H6/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(13)14-11;8-6-5-7-3-1-2-4-7;2*1-2/h2-8H,1H3,(H2,13,14);1-5H2;2*1-2H3.
What are the key properties of ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane?
ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane has a molecular weight of 371.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(4-methoxyphenyl)pyridin-2-amine;oxo(pyrrolidin-1-ylmethyl)borane is sourced from PubChem (CID 91136834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).