2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline

C14H19FN2 — CID 43188702

IUPAC2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cccc(F)c1C(C)N
InChIInChI=1S/C14H19FN2/c1-4-9-17(10-5-2)13-8-6-7-12(15)14(13)11(3)16/h4-8,11H,1-2,9-10,16H2,3H3
InChIKeyYUKKYCZWUILZGK-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.02
Rot. Bonds6

About 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline

2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline (PubChem CID 43188702) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
PubChem CID43188702
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cccc(F)c1C(C)N
InChIInChI=1S/C14H19FN2/c1-4-9-17(10-5-2)13-8-6-7-12(15)14(13)11(3)16/h4-8,11H,1-2,9-10,16H2,3H3
InChIKeyYUKKYCZWUILZGK-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
CID 63369519
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
3-[2-(1-aminoethyl)-3-fluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285543
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43105495
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline (CID 43188702) is 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1cccc(F)c1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline?
The InChIKey is YUKKYCZWUILZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-4-9-17(10-5-2)13-8-6-7-12(15)14(13)11(3)16/h4-8,11H,1-2,9-10,16H2,3H3.
What are the key properties of 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline?
2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline has a molecular weight of 234.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 43188702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).