2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol

C15H25NO2 — CID 62496976

IUPAC2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(CO)NC(C)CC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-14-8-6-13(7-9-14)15(11-17)16-12(3)5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeySMMGLKOMVOGVKY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds8

About 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol

2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol (PubChem CID 62496976) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
PubChem CID62496976
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(CO)NC(C)CC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-14-8-6-13(7-9-14)15(11-17)16-12(3)5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeySMMGLKOMVOGVKY-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
N-butan-2-yl-4-propoxyaniline
CID 21311789
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol (CID 62496976) is 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(CO)NC(C)CC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol?
The InChIKey is SMMGLKOMVOGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-18-14-8-6-13(7-9-14)15(11-17)16-12(3)5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol?
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 62496976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).