1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol

C14H17ClN2O2 — CID 79101456

IUPAC1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNn2cccc2)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-11-8-13(4-5-14(11)15)19-10-12(18)9-16-17-6-2-3-7-17/h2-8,12,16,18H,9-10H2,1H3
InChIKeyCQGBVDHSTUBASA-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol (PubChem CID 79101456) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
PubChem CID79101456
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNn2cccc2)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-11-8-13(4-5-14(11)15)19-10-12(18)9-16-17-6-2-3-7-17/h2-8,12,16,18H,9-10H2,1H3
InChIKeyCQGBVDHSTUBASA-UHFFFAOYSA-N
XLogP2.43
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-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

1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83013958
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100094
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol (CID 79101456) is 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol is Cc1cc(OCC(O)CNn2cccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
The InChIKey is CQGBVDHSTUBASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-11-8-13(4-5-14(11)15)19-10-12(18)9-16-17-6-2-3-7-17/h2-8,12,16,18H,9-10H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol has a molecular weight of 280.76 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol is sourced from PubChem (CID 79101456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).