2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol

C14H22ClNO2 — CID 112513000

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-9(2)16-13(8-17)11-5-6-14(12(15)7-11)18-10(3)4/h5-7,9-10,13,16-17H,8H2,1-4H3
InChIKeyRTSBOGGCMUCREQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.16
Rot. Bonds6

About 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 112513000) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID112513000
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-9(2)16-13(8-17)11-5-6-14(12(15)7-11)18-10(3)4/h5-7,9-10,13,16-17H,8H2,1-4H3
InChIKeyRTSBOGGCMUCREQ-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol (CID 112513000) is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is RTSBOGGCMUCREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-9(2)16-13(8-17)11-5-6-14(12(15)7-11)18-10(3)4/h5-7,9-10,13,16-17H,8H2,1-4H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol?
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 271.79 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 112513000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).