1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine

C14H21NO2 — CID 114519451

IUPAC1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-10-2-3-14(15)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,2-3,8-10,15H2,1H3
InChIKeyWGCVTSHLBGZEBO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds7

About 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine

1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine (PubChem CID 114519451) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
PubChem CID114519451
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-10-2-3-14(15)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,2-3,8-10,15H2,1H3
InChIKeyWGCVTSHLBGZEBO-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
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

1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927747
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481
1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 114519209

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine (CID 114519451) is 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine is COCCCC(N)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine?
The InChIKey is WGCVTSHLBGZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-2-3-14(15)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,2-3,8-10,15H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine?
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 114519451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).