N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline

C14H20FNO3 — CID 18348993

IUPACN-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline
SMILESCC1(C)OCC(COCCNc2ccc(F)cc2)O1
InChIInChI=1S/C14H20FNO3/c1-14(2)18-10-13(19-14)9-17-8-7-16-12-5-3-11(15)4-6-12/h3-6,13,16H,7-10H2,1-2H3
InChIKeyBUXREYPCODLAMS-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline

N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline (PubChem CID 18348993) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline
PubChem CID18348993
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC NameN-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline
SMILESCC1(C)OCC(COCCNc2ccc(F)cc2)O1
InChIInChI=1S/C14H20FNO3/c1-14(2)18-10-13(19-14)9-17-8-7-16-12-5-3-11(15)4-6-12/h3-6,13,16H,7-10H2,1-2H3
InChIKeyBUXREYPCODLAMS-UHFFFAOYSA-N
XLogP2.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-Diethoxyethyl)aniline
CID 519978
1-Ethoxy-3-phenylamino-propan-2-ol
CID 3144954
N-(2,2-Dimethoxyethyl)aniline
CID 3015344
1-Anilino-3-isopropoxy-2-propanol
CID 2880916
N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
CID 122217482
N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
CID 139086046
(2S,4S,6S)-N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
CID 139086120
2-Anilinoethyl methyl carbonate
CID 101584061
Tri-methoxyphenylisopropylamine
CID 129689480
Dimethoxymethyl-phenylaminopropane
CID 129827388
4-fluoro-N-{2-[(2-methoxyethyl)amino]ethyl}aniline
CID 50988387
N-[2-(1,3-dioxolan-2-yl)ethyl]-4-fluoro-N-methylaniline
CID 91660729

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline (CID 18348993) is N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline is CC1(C)OCC(COCCNc2ccc(F)cc2)O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline?
The InChIKey is BUXREYPCODLAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2)18-10-13(19-14)9-17-8-7-16-12-5-3-11(15)4-6-12/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline?
N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline has a molecular weight of 269.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-4-fluoroaniline is sourced from PubChem (CID 18348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).