ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine

C17H29N — CID 176931676

IUPACethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine
SMILESCC.CCN1CC(c2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C15H23N.C2H6/c1-5-16-9-14(10-16)13-6-7-15(11(2)3)12(4)8-13;1-2/h6-8,11,14H,5,9-10H2,1-4H3;1-2H3
InChIKeyBWYMKSBJMNYBIS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.56
Rot. Bonds3

About ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine

ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine (PubChem CID 176931676) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine
PubChem CID176931676
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Nameethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine
SMILESCC.CCN1CC(c2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C15H23N.C2H6/c1-5-16-9-14(10-16)13-6-7-15(11(2)3)12(4)8-13;1-2/h6-8,11,14H,5,9-10H2,1-4H3;1-2H3
InChIKeyBWYMKSBJMNYBIS-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
1-ethyl-4-(3-iodo-4-methylphenyl)piperidine
CID 146412491
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
CID 176934813
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
1-[1-[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-methylphenyl]ethyl]piperidine
CID 175811996
3-[3,4-di(propan-2-yl)phenyl]azetidine
CID 176820214
N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83990215
3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
CID 20563831
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
CID 118268967

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine?
The IUPAC name of ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine (CID 176931676) is ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine.
What is the SMILES notation for ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine?
The canonical SMILES for ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine is CC.CCN1CC(c2ccc(C(C)C)c(C)c2)C1.
What is the InChIKey of ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine?
The InChIKey is BWYMKSBJMNYBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-5-16-9-14(10-16)13-6-7-15(11(2)3)12(4)8-13;1-2/h6-8,11,14H,5,9-10H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine?
ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine has a molecular weight of 247.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(3-methyl-4-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 176931676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).