1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol

C14H22ClNO2 — CID 65048817

IUPAC1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
SMILESCOCC(NCC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)13(9-18-3)16-8-14(17)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,8-9H2,1-3H3
InChIKeyUKVIZECAVLEAPA-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.63
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol

1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol (PubChem CID 65048817) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
PubChem CID65048817
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
SMILESCOCC(NCC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)13(9-18-3)16-8-14(17)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,8-9H2,1-3H3
InChIKeyUKVIZECAVLEAPA-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 65048916
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
CID 82715842
(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol
CID 112742117
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol (CID 65048817) is 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol is COCC(NCC(O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol?
The InChIKey is UKVIZECAVLEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)13(9-18-3)16-8-14(17)11-4-6-12(15)7-5-11/h4-7,10,13-14,16-17H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol?
1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 65048817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).