(2S)-1-[4-(diethylamino)phenyl]propan-2-ol

C13H21NO — CID 94776344

IUPAC(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
SMILESCCN(CC)c1ccc(C[C@H](C)O)cc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)13-8-6-12(7-9-13)10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyFEAUNXMGZIZPMT-NSHDSACASA-N
MW207.32 g/mol
LogP2.46
Rot. Bonds5

About (2S)-1-[4-(diethylamino)phenyl]propan-2-ol

(2S)-1-[4-(diethylamino)phenyl]propan-2-ol (PubChem CID 94776344) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-[4-(diethylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
PubChem CID94776344
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
SMILESCCN(CC)c1ccc(C[C@H](C)O)cc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)13-8-6-12(7-9-13)10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyFEAUNXMGZIZPMT-NSHDSACASA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
CID 94776154
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-amino-3-[4-(diethylamino)phenyl]propanoic acid;dihydrochloride
CID 18314886
1-[4-[ethyl(2-sulfanylpropyl)amino]phenyl]propane-2-thiol
CID 87203163
1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
CID 83973083
1-(4-chloro-N-ethylanilino)propan-2-ol
CID 174579431
2-[[4-(diethylamino)phenyl]methyl]pentanedioic acid
CID 142115464
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(diethylamino)phenyl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(diethylamino)phenyl]propan-2-ol (CID 94776344) is (2S)-1-[4-(diethylamino)phenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(diethylamino)phenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(diethylamino)phenyl]propan-2-ol is CCN(CC)c1ccc(C[C@H](C)O)cc1.
What is the InChIKey of (2S)-1-[4-(diethylamino)phenyl]propan-2-ol?
The InChIKey is FEAUNXMGZIZPMT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(5-2)13-8-6-12(7-9-13)10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-(diethylamino)phenyl]propan-2-ol?
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(diethylamino)phenyl]propan-2-ol is sourced from PubChem (CID 94776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).