1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol

C17H20ClNO2 — CID 60903378

IUPAC1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccccc1C
InChIInChI=1S/C17H20ClNO2/c1-12-7-8-14(18)9-16(12)19-10-15(20)11-21-17-6-4-3-5-13(17)2/h3-9,15,19-20H,10-11H2,1-2H3
InChIKeyBQKSSWCFJPQQLH-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds6

About 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol

1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 60903378) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID60903378
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccccc1C
InChIInChI=1S/C17H20ClNO2/c1-12-7-8-14(18)9-16(12)19-10-15(20)11-21-17-6-4-3-5-13(17)2/h3-9,15,19-20H,10-11H2,1-2H3
InChIKeyBQKSSWCFJPQQLH-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
1-[4-[(2S)-3-(5-chloro-2-methylanilino)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 8741288
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol (CID 60903378) is 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccc(Cl)cc1NCC(O)COc1ccccc1C.
What is the InChIKey of 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is BQKSSWCFJPQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12-7-8-14(18)9-16(12)19-10-15(20)11-21-17-6-4-3-5-13(17)2/h3-9,15,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol?
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60903378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).