1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol

C14H22ClNO — CID 54949960

IUPAC1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-10(2)11(3)16-9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3
InChIKeyFIARQRYUFIAIRT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol

1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol (PubChem CID 54949960) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
PubChem CID54949960
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-10(2)11(3)16-9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3
InChIKeyFIARQRYUFIAIRT-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
CID 82715842
1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
CID 65048817
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol (CID 54949960) is 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol is CCC(C)C(C)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The InChIKey is FIARQRYUFIAIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-10(2)11(3)16-9-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,14,16-17H,4,9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol?
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol has a molecular weight of 255.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol is sourced from PubChem (CID 54949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).