2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline

C13H20N2O — CID 82257442

IUPAC2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
SMILESC=CCNC(C)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O/c1-4-7-15-10(2)8-11-5-6-13(16-3)12(14)9-11/h4-6,9-10,15H,1,7-8,14H2,2-3H3
InChIKeyHDUCUMANPQKJDW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.98
Rot. Bonds6

About 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline

2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline (PubChem CID 82257442) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
PubChem CID82257442
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
SMILESC=CCNC(C)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O/c1-4-7-15-10(2)8-11-5-6-13(16-3)12(14)9-11/h4-6,9-10,15H,1,7-8,14H2,2-3H3
InChIKeyHDUCUMANPQKJDW-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257510
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
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-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
3-[2-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 82257492
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline (CID 82257442) is 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline is C=CCNC(C)Cc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The InChIKey is HDUCUMANPQKJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-7-15-10(2)8-11-5-6-13(16-3)12(14)9-11/h4-6,9-10,15H,1,7-8,14H2,2-3H3.
What are the key properties of 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline?
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline is sourced from PubChem (CID 82257442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).