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

C14H22ClNO — CID 113253717

IUPAC1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
SMILESCCC(C)(CC)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-14(3,5-2)16-10-13(17)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyZKGIRPJFZIHZDW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds6

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

1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol (PubChem CID 113253717) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
PubChem CID113253717
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
SMILESCCC(C)(CC)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-14(3,5-2)16-10-13(17)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyZKGIRPJFZIHZDW-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol (CID 113253717) is 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol is CCC(C)(CC)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol?
The InChIKey is ZKGIRPJFZIHZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-14(3,5-2)16-10-13(17)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol?
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol has a molecular weight of 255.79 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol is sourced from PubChem (CID 113253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).