(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol

C14H21NO — CID 103960311

IUPAC(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
SMILESC=CCN(CC)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H21NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h4,7-10,14,16H,1,5-6,11H2,2-3H3/t14-/m0/s1
InChIKeyTYOMQEZPNCFKNQ-AWEZNQCLSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol (PubChem CID 103960311) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
PubChem CID103960311
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
SMILESC=CCN(CC)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H21NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h4,7-10,14,16H,1,5-6,11H2,2-3H3/t14-/m0/s1
InChIKeyTYOMQEZPNCFKNQ-AWEZNQCLSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
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

1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene
CID 175301373
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol (CID 103960311) is (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol is C=CCN(CC)c1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The InChIKey is TYOMQEZPNCFKNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h4,7-10,14,16H,1,5-6,11H2,2-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).