2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline

C15H22N2O — CID 113388926

IUPAC2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cccc(OC)c1[C@H](C)N
InChIInChI=1S/C15H22N2O/c1-5-10-17(11-6-2)13-8-7-9-14(18-4)15(13)12(3)16/h5-9,12H,1-2,10-11,16H2,3-4H3/t12-/m0/s1
InChIKeyYXCHZOGDUYYUJS-LBPRGKRZSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds7

About 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline

2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline (PubChem CID 113388926) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
PubChem CID113388926
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cccc(OC)c1[C@H](C)N
InChIInChI=1S/C15H22N2O/c1-5-10-17(11-6-2)13-8-7-9-14(18-4)15(13)12(3)16/h5-9,12H,1-2,10-11,16H2,3-4H3/t12-/m0/s1
InChIKeyYXCHZOGDUYYUJS-LBPRGKRZSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
CID 43188702
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
CID 113388829
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline (CID 113388926) is 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1cccc(OC)c1[C@H](C)N.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline?
The InChIKey is YXCHZOGDUYYUJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-10-17(11-6-2)13-8-7-9-14(18-4)15(13)12(3)16/h5-9,12H,1-2,10-11,16H2,3-4H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline?
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline has a molecular weight of 246.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 113388926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).