[4-(3,4-diaminophenyl)morpholin-3-yl]methanol

C11H17N3O2 — CID 106751224

IUPAC[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
SMILESNc1ccc(N2CCOCC2CO)cc1N
InChIInChI=1S/C11H17N3O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7,12-13H2
InChIKeyWBPVBXVKOHMHSZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.05
Rot. Bonds2

About [4-(3,4-diaminophenyl)morpholin-3-yl]methanol

[4-(3,4-diaminophenyl)morpholin-3-yl]methanol (PubChem CID 106751224) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(3,4-diaminophenyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
PubChem CID106751224
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
SMILESNc1ccc(N2CCOCC2CO)cc1N
InChIInChI=1S/C11H17N3O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7,12-13H2
InChIKeyWBPVBXVKOHMHSZ-UHFFFAOYSA-N
XLogP0.05
TPSA84.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
(4-phenylmorpholin-3-yl)methanol
CID 91802000
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol
CID 116797527
2-ethoxy-4-(3-ethylmorpholin-4-yl)aniline
CID 55234148
4-(3-ethylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83001872
[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol
CID 174854096
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
2-amino-5-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 68541631

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-diaminophenyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(3,4-diaminophenyl)morpholin-3-yl]methanol (CID 106751224) is [4-(3,4-diaminophenyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(3,4-diaminophenyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(3,4-diaminophenyl)morpholin-3-yl]methanol is Nc1ccc(N2CCOCC2CO)cc1N.
What is the InChIKey of [4-(3,4-diaminophenyl)morpholin-3-yl]methanol?
The InChIKey is WBPVBXVKOHMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7,12-13H2.
What are the key properties of [4-(3,4-diaminophenyl)morpholin-3-yl]methanol?
[4-(3,4-diaminophenyl)morpholin-3-yl]methanol has a molecular weight of 223.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-diaminophenyl)morpholin-3-yl]methanol is sourced from PubChem (CID 106751224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).