2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline

C13H22N4O — CID 178058840

IUPAC2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
SMILESCC(C)N(N)c1ccc(N2CCOCC2)cc1N
InChIInChI=1S/C13H22N4O/c1-10(2)17(15)13-4-3-11(9-12(13)14)16-5-7-18-8-6-16/h3-4,9-10H,5-8,14-15H2,1-2H3
InChIKeyVQLNBYRSHGHYJT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.19
Rot. Bonds3

About 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline

2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline (PubChem CID 178058840) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
PubChem CID178058840
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
SMILESCC(C)N(N)c1ccc(N2CCOCC2)cc1N
InChIInChI=1S/C13H22N4O/c1-10(2)17(15)13-4-3-11(9-12(13)14)16-5-7-18-8-6-16/h3-4,9-10H,5-8,14-15H2,1-2H3
InChIKeyVQLNBYRSHGHYJT-UHFFFAOYSA-N
XLogP1.19
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
CID 58805152
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
(2,4-dimorpholin-4-ylphenyl)-methyl-dimorpholin-4-ylphosphanium
CID 3782963
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline?
The IUPAC name of 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline (CID 178058840) is 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline?
The canonical SMILES for 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline is CC(C)N(N)c1ccc(N2CCOCC2)cc1N.
What is the InChIKey of 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline?
The InChIKey is VQLNBYRSHGHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17(15)13-4-3-11(9-12(13)14)16-5-7-18-8-6-16/h3-4,9-10H,5-8,14-15H2,1-2H3.
What are the key properties of 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline?
2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline has a molecular weight of 250.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline is sourced from PubChem (CID 178058840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).