1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol

C16H26N2O2 — CID 116695777

IUPAC1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
SMILESCCC1CN(CCC(O)(CN)c2ccccc2)CCO1
InChIInChI=1S/C16H26N2O2/c1-2-15-12-18(10-11-20-15)9-8-16(19,13-17)14-6-4-3-5-7-14/h3-7,15,19H,2,8-13,17H2,1H3
InChIKeySJNRXKXHBBZFKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.33
Rot. Bonds6

About 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol

1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol (PubChem CID 116695777) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
PubChem CID116695777
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
SMILESCCC1CN(CCC(O)(CN)c2ccccc2)CCO1
InChIInChI=1S/C16H26N2O2/c1-2-15-12-18(10-11-20-15)9-8-16(19,13-17)14-6-4-3-5-7-14/h3-7,15,19H,2,8-13,17H2,1H3
InChIKeySJNRXKXHBBZFKX-UHFFFAOYSA-N
XLogP1.33
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
CID 116695850
4-(2-ethylmorpholin-4-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695149
1-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylbutan-2-ol
CID 103540862
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
CID 116695944
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
3-(2-ethylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 43562330
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
[4-(2-phenylprop-2-enyl)morpholin-2-yl]methanamine
CID 114399002
3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
CID 67928020

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol (CID 116695777) is 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol is CCC1CN(CCC(O)(CN)c2ccccc2)CCO1.
What is the InChIKey of 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol?
The InChIKey is SJNRXKXHBBZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-15-12-18(10-11-20-15)9-8-16(19,13-17)14-6-4-3-5-7-14/h3-7,15,19H,2,8-13,17H2,1H3.
What are the key properties of 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol?
1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol is sourced from PubChem (CID 116695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).