2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol

C17H28N2O3 — CID 17216054

IUPAC2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(OC)c(CN2CCOCC2)c1
InChIInChI=1S/C17H28N2O3/c1-3-16(13-20)18-11-14-4-5-17(21-2)15(10-14)12-19-6-8-22-9-7-19/h4-5,10,16,18,20H,3,6-9,11-13H2,1-2H3
InChIKeyQPXFDYSNEZLLPA-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.39
Rot. Bonds8

About 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol

2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol (PubChem CID 17216054) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
PubChem CID17216054
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(OC)c(CN2CCOCC2)c1
InChIInChI=1S/C17H28N2O3/c1-3-16(13-20)18-11-14-4-5-17(21-2)15(10-14)12-19-6-8-22-9-7-19/h4-5,10,16,18,20H,3,6-9,11-13H2,1-2H3
InChIKeyQPXFDYSNEZLLPA-UHFFFAOYSA-N
XLogP1.39
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
CID 17216101
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine
CID 19625954

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol (CID 17216054) is 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(OC)c(CN2CCOCC2)c1.
What is the InChIKey of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol?
The InChIKey is QPXFDYSNEZLLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-16(13-20)18-11-14-4-5-17(21-2)15(10-14)12-19-6-8-22-9-7-19/h4-5,10,16,18,20H,3,6-9,11-13H2,1-2H3.
What are the key properties of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol?
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 17216054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).