1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol

C14H22ClNO — CID 22975413

IUPAC1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)16(11(3)4)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyRTXHPHMARPBKRL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol

1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol (PubChem CID 22975413) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol
PubChem CID22975413
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)16(11(3)4)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3
InChIKeyRTXHPHMARPBKRL-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5606
Eliprodil
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N-Methylephedrine
CID 4374
Methylephedrine
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Dichloroisoproterenol
CID 5806
Clorprenaline
CID 2810
Tulobuterol Hydrochloride
CID 5702285
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190
Benzenemethanol, 2-chloro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
CID 23360
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol (CID 22975413) is 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol is CC(C)N(CC(O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol?
The InChIKey is RTXHPHMARPBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)16(11(3)4)9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol?
1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol has a molecular weight of 255.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[di(propan-2-yl)amino]ethanol is sourced from PubChem (CID 22975413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).