(2R)-1-[4-(diethylamino)phenyl]butan-2-ol

C14H23NO — CID 94776154

IUPAC(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-14(16)11-12-7-9-13(10-8-12)15(5-2)6-3/h7-10,14,16H,4-6,11H2,1-3H3/t14-/m1/s1
InChIKeyJPTARWNNUMSUSM-CQSZACIVSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds6

About (2R)-1-[4-(diethylamino)phenyl]butan-2-ol

(2R)-1-[4-(diethylamino)phenyl]butan-2-ol (PubChem CID 94776154) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-1-[4-(diethylamino)phenyl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
PubChem CID94776154
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-14(16)11-12-7-9-13(10-8-12)15(5-2)6-3/h7-10,14,16H,4-6,11H2,1-3H3/t14-/m1/s1
InChIKeyJPTARWNNUMSUSM-CQSZACIVSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
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

(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
2-amino-3-[4-(diethylamino)phenyl]propanoic acid;dihydrochloride
CID 18314886
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-[[4-(diethylamino)phenyl]methyl]pentanedioic acid
CID 142115464
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(diethylamino)phenyl]butan-2-ol?
The IUPAC name of (2R)-1-[4-(diethylamino)phenyl]butan-2-ol (CID 94776154) is (2R)-1-[4-(diethylamino)phenyl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-(diethylamino)phenyl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-(diethylamino)phenyl]butan-2-ol is CC[C@@H](O)Cc1ccc(N(CC)CC)cc1.
What is the InChIKey of (2R)-1-[4-(diethylamino)phenyl]butan-2-ol?
The InChIKey is JPTARWNNUMSUSM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(16)11-12-7-9-13(10-8-12)15(5-2)6-3/h7-10,14,16H,4-6,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(diethylamino)phenyl]butan-2-ol?
(2R)-1-[4-(diethylamino)phenyl]butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(diethylamino)phenyl]butan-2-ol is sourced from PubChem (CID 94776154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).