3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine

C15H24N2O2 — CID 117415712

IUPAC3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
SMILESCOc1ccc(N2CCOCC2)cc1C(C)CCN
InChIInChI=1S/C15H24N2O2/c1-12(5-6-16)14-11-13(3-4-15(14)18-2)17-7-9-19-10-8-17/h3-4,11-12H,5-10,16H2,1-2H3
InChIKeyOAQTVZSMPKNWHZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.98
Rot. Bonds5

About 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine

3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine (PubChem CID 117415712) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
PubChem CID117415712
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
SMILESCOc1ccc(N2CCOCC2)cc1C(C)CCN
InChIInChI=1S/C15H24N2O2/c1-12(5-6-16)14-11-13(3-4-15(14)18-2)17-7-9-19-10-8-17/h3-4,11-12H,5-10,16H2,1-2H3
InChIKeyOAQTVZSMPKNWHZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 117374281
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine?
The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine (CID 117415712) is 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine is COc1ccc(N2CCOCC2)cc1C(C)CCN.
What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine?
The InChIKey is OAQTVZSMPKNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(5-6-16)14-11-13(3-4-15(14)18-2)17-7-9-19-10-8-17/h3-4,11-12H,5-10,16H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine?
3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 117415712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).