2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline

C16H27N3O2 — CID 82257448

IUPAC2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
SMILESCOc1ccc(CC(C)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H27N3O2/c1-13(18-5-6-19-7-9-21-10-8-19)11-14-3-4-16(20-2)15(17)12-14/h3-4,12-13,18H,5-11,17H2,1-2H3
InChIKeyKKWQYGHSKWLAEY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds7

About 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline

2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline (PubChem CID 82257448) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
PubChem CID82257448
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
SMILESCOc1ccc(CC(C)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H27N3O2/c1-13(18-5-6-19-7-9-21-10-8-19)11-14-3-4-16(20-2)15(17)12-14/h3-4,12-13,18H,5-11,17H2,1-2H3
InChIKeyKKWQYGHSKWLAEY-UHFFFAOYSA-N
XLogP1.13
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
3-[2-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 82257492
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline (CID 82257448) is 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline is COc1ccc(CC(C)NCCN2CCOCC2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline?
The InChIKey is KKWQYGHSKWLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(18-5-6-19-7-9-21-10-8-19)11-14-3-4-16(20-2)15(17)12-14/h3-4,12-13,18H,5-11,17H2,1-2H3.
What are the key properties of 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline?
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline has a molecular weight of 293.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline is sourced from PubChem (CID 82257448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).