1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol

C18H30ClNO2 — CID 47007175

IUPAC1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
SMILESCCC(C)(C)NCC(O)COc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C18H30ClNO2/c1-7-18(5,6)20-10-14(21)11-22-17-8-13(4)16(19)9-15(17)12(2)3/h8-9,12,14,20-21H,7,10-11H2,1-6H3
InChIKeyIPOWXDYINOKWLN-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.29
Rot. Bonds8

About 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol

1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol (PubChem CID 47007175) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
PubChem CID47007175
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
SMILESCCC(C)(C)NCC(O)COc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C18H30ClNO2/c1-7-18(5,6)20-10-14(21)11-22-17-8-13(4)16(19)9-15(17)12(2)3/h8-9,12,14,20-21H,7,10-11H2,1-6H3
InChIKeyIPOWXDYINOKWLN-UHFFFAOYSA-N
XLogP4.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]azaniumyl]ethyl-di(propan-2-yl)azanium
CID 2086224
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-methylbutan-1-amine
CID 62354646
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613459
1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
CID 20513342
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol (CID 47007175) is 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol is CCC(C)(C)NCC(O)COc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol?
The InChIKey is IPOWXDYINOKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO2/c1-7-18(5,6)20-10-14(21)11-22-17-8-13(4)16(19)9-15(17)12(2)3/h8-9,12,14,20-21H,7,10-11H2,1-6H3.
What are the key properties of 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol?
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol has a molecular weight of 327.90 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 47007175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).