2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline

C13H20N2 — CID 169473959

IUPAC2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline
SMILESCNCC=Cc1cc(C(C)C)ccc1N
InChIInChI=1S/C13H20N2/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-15-3/h4-7,9-10,15H,8,14H2,1-3H3
InChIKeyRJGIKTISOQATMQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.62
Rot. Bonds4

About 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline

2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline (PubChem CID 169473959) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline
PubChem CID169473959
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline
SMILESCNCC=Cc1cc(C(C)C)ccc1N
InChIInChI=1S/C13H20N2/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-15-3/h4-7,9-10,15H,8,14H2,1-3H3
InChIKeyRJGIKTISOQATMQ-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane
CID 143482626
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
2-methylsulfanyl-4-propan-2-ylaniline
CID 18427733
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
CID 169473596
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
2-amino-5-propan-2-ylbenzohydrazide
CID 162699356
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473234

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline (CID 169473959) is 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline is CNCC=Cc1cc(C(C)C)ccc1N.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline?
The InChIKey is RJGIKTISOQATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-15-3/h4-7,9-10,15H,8,14H2,1-3H3.
What are the key properties of 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline?
2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline is sourced from PubChem (CID 169473959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).