2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine

C16H25NO3 — CID 103546701

IUPAC2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1OCCO1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-17-15(11-16-18-9-10-19-16)13-5-7-14(8-6-13)20-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyBLAIFMIACQVLAF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.89
Rot. Bonds7

About 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine

2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 103546701) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID103546701
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1OCCO1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-17-15(11-16-18-9-10-19-16)13-5-7-14(8-6-13)20-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyBLAIFMIACQVLAF-UHFFFAOYSA-N
XLogP2.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
CID 43492130
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 63832362
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine (CID 103546701) is 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine is CCNC(CC1OCCO1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BLAIFMIACQVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17-15(11-16-18-9-10-19-16)13-5-7-14(8-6-13)20-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103546701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).