3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C14H22FNO2 — CID 103396765

IUPAC3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-11(10-16-6-7-17-2)8-12-4-5-13(18-3)9-14(12)15/h4-5,9,11,16H,6-8,10H2,1-3H3
InChIKeyUKBNWJDTPVFPHE-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.25
Rot. Bonds8

About 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 103396765) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID103396765
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-11(10-16-6-7-17-2)8-12-4-5-13(18-3)9-14(12)15/h4-5,9,11,16H,6-8,10H2,1-3H3
InChIKeyUKBNWJDTPVFPHE-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 104739049
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64664546
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102879879
3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114163014
N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide
CID 130394504
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 103396765) is 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)Cc1ccc(OC)cc1F.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is UKBNWJDTPVFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(10-16-6-7-17-2)8-12-4-5-13(18-3)9-14(12)15/h4-5,9,11,16H,6-8,10H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 103396765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).