2-(2-morpholin-4-ylethyl)benzene-1,3-diamine

C12H19N3O — CID 140755433

IUPAC2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESNc1cccc(N)c1CCN1CCOCC1
InChIInChI=1S/C12H19N3O/c13-11-2-1-3-12(14)10(11)4-5-15-6-8-16-9-7-15/h1-3H,4-9,13-14H2
InChIKeyXZQCQVRILOUNMM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine

2-(2-morpholin-4-ylethyl)benzene-1,3-diamine (PubChem CID 140755433) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
PubChem CID140755433
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESNc1cccc(N)c1CCN1CCOCC1
InChIInChI=1S/C12H19N3O/c13-11-2-1-3-12(14)10(11)4-5-15-6-8-16-9-7-15/h1-3H,4-9,13-14H2
InChIKeyXZQCQVRILOUNMM-UHFFFAOYSA-N
XLogP0.73
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-(2-morpholin-4-ylethyl)-1H-pyrrol-3-amine
CID 82400247
methane;4-(2-phenylethyl)morpholine
CID 143698819
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117142384
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
4-[2-(1,2-oxazol-5-yl)ethyl]morpholine
CID 173251895

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine (CID 140755433) is 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine is Nc1cccc(N)c1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is XZQCQVRILOUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11-2-1-3-12(14)10(11)4-5-15-6-8-16-9-7-15/h1-3H,4-9,13-14H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 140755433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).