1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol

C14H23NO — CID 138485794

IUPAC1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12(3)15-10-14(16)13-8-6-11(2)7-9-13/h6-9,12,14-16H,4-5,10H2,1-3H3
InChIKeyIKCBMWZINGFLFM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol

1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol (PubChem CID 138485794) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
PubChem CID138485794
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12(3)15-10-14(16)13-8-6-11(2)7-9-13/h6-9,12,14-16H,4-5,10H2,1-3H3
InChIKeyIKCBMWZINGFLFM-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62200407
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol (CID 138485794) is 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol is CCCC(C)NCC(O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol?
The InChIKey is IKCBMWZINGFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-12(3)15-10-14(16)13-8-6-11(2)7-9-13/h6-9,12,14-16H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol?
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol is sourced from PubChem (CID 138485794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).