N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline

C14H21NO3 — CID 66472308

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCC2OCCCO2)c1
InChIInChI=1S/C14H21NO3/c1-15(8-7-14-17-9-4-10-18-14)12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyHCDKBZBRSGHJKJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline

N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline (PubChem CID 66472308) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
PubChem CID66472308
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCC2OCCCO2)c1
InChIInChI=1S/C14H21NO3/c1-15(8-7-14-17-9-4-10-18-14)12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyHCDKBZBRSGHJKJ-UHFFFAOYSA-N
XLogP2.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62555855
N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
CID 66472307
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
CID 62213434
N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline
CID 66472713
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
CID 62619389
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
CID 62611884

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline (CID 66472308) is N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline is COc1cccc(N(C)CCC2OCCCO2)c1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline?
The InChIKey is HCDKBZBRSGHJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(8-7-14-17-9-4-10-18-14)12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline?
N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline has a molecular weight of 251.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 66472308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).