[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine

C15H23NO3 — CID 58428365

IUPAC[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCCCCCOc1ccc(C2(CN)OCCO2)cc1
InChIInChI=1S/C15H23NO3/c1-2-3-4-9-17-14-7-5-13(6-8-14)15(12-16)18-10-11-19-15/h5-8H,2-4,9-12,16H2,1H3
InChIKeyUSOGZMYGVAAGKM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.41
Rot. Bonds7

About [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine

[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 58428365) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID58428365
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCCCCCOc1ccc(C2(CN)OCCO2)cc1
InChIInChI=1S/C15H23NO3/c1-2-3-4-9-17-14-7-5-13(6-8-14)15(12-16)18-10-11-19-15/h5-8H,2-4,9-12,16H2,1H3
InChIKeyUSOGZMYGVAAGKM-UHFFFAOYSA-N
XLogP2.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine 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

1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
CID 155310542
(4-decoxyphenyl)methanamine
CID 55187501
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
bis(4-heptoxyphenyl)diazene
CID 13087198
3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide
CID 170120450
2-[(4-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986

Frequently Asked Questions

What is the IUPAC name of [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine (CID 58428365) is [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine is CCCCCOc1ccc(C2(CN)OCCO2)cc1.
What is the InChIKey of [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is USOGZMYGVAAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-9-17-14-7-5-13(6-8-14)15(12-16)18-10-11-19-15/h5-8H,2-4,9-12,16H2,1H3.
What are the key properties of [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 58428365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).