N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine

C21H35NO3 — CID 22760827

IUPACN-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
SMILESCCN(CCCC1(C(C)C)OCCO1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H35NO3/c1-6-22(13-7-12-21(17(2)3)24-14-15-25-21)18(4)16-19-8-10-20(23-5)11-9-19/h8-11,17-18H,6-7,12-16H2,1-5H3
InChIKeyPTAGMLKPDDWTLX-UHFFFAOYSA-N
MW349.51 g/mol
LogP4.13
Rot. Bonds10

About N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine

N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine (PubChem CID 22760827) has the molecular formula C21H35NO3 and a molecular weight of 349.51 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
PubChem CID22760827
Molecular FormulaC21H35NO3
Molecular Weight349.51 g/mol
Exact Mass349.26
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
SMILESCCN(CCCC1(C(C)C)OCCO1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H35NO3/c1-6-22(13-7-12-21(17(2)3)24-14-15-25-21)18(4)16-19-8-10-20(23-5)11-9-19/h8-11,17-18H,6-7,12-16H2,1-5H3
InChIKeyPTAGMLKPDDWTLX-UHFFFAOYSA-N
XLogP4.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
CID 19872421
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
CID 4031
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-bis(trideuteriomethoxy)benzoate
CID 71749916
(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
CID 97220924
N-ethyl-1-(4-methoxyphenyl)-N-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 18352870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine (CID 22760827) is N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine is CCN(CCCC1(C(C)C)OCCO1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine?
The InChIKey is PTAGMLKPDDWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3/c1-6-22(13-7-12-21(17(2)3)24-14-15-25-21)18(4)16-19-8-10-20(23-5)11-9-19/h8-11,17-18H,6-7,12-16H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine?
N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine has a molecular weight of 349.51 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 22760827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).