N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline

C17H19N — CID 93477605

IUPACN-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19N/c1-3-14-18(17-12-8-5-9-13-17)15(2)16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/t15-/m0/s1
InChIKeyUBUPHTTZEHWQHG-HNNXBMFYSA-N
MW237.35 g/mol
LogP4.44
Rot. Bonds5

About N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline

N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline (PubChem CID 93477605) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
PubChem CID93477605
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19N/c1-3-14-18(17-12-8-5-9-13-17)15(2)16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/t15-/m0/s1
InChIKeyUBUPHTTZEHWQHG-HNNXBMFYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
(3S)-3-methyl-4-phenyl-4-[[(1R)-1-phenylethyl]-prop-2-enylamino]butan-2-one
CID 54367902
3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70279738
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
CID 102122071
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
[prop-2-enyl(sulfino)amino]benzene
CID 57122703
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
CID 100998322
CID 100998322
ethyl (3S)-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]butanoate
CID 11161693

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline (CID 93477605) is N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline is C=CCN(c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline?
The InChIKey is UBUPHTTZEHWQHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-14-18(17-12-8-5-9-13-17)15(2)16-10-6-4-7-11-16/h3-13,15H,1,14H2,2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline?
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline has a molecular weight of 237.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline is sourced from PubChem (CID 93477605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).