1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol

C16H17BrClNO2 — CID 63488071

IUPAC1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO2/c1-11-2-5-13(18)8-16(11)19-9-14(20)10-21-15-6-3-12(17)4-7-15/h2-8,14,19-20H,9-10H2,1H3
InChIKeyQKSKVBBJPGUDON-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol

1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol (PubChem CID 63488071) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
PubChem CID63488071
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO2/c1-11-2-5-13(18)8-16(11)19-9-14(20)10-21-15-6-3-12(17)4-7-15/h2-8,14,19-20H,9-10H2,1H3
InChIKeyQKSKVBBJPGUDON-UHFFFAOYSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
CID 60910317
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
CID 107606464
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol (CID 63488071) is 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol is Cc1ccc(Cl)cc1NCC(O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol?
The InChIKey is QKSKVBBJPGUDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-11-2-5-13(18)8-16(11)19-9-14(20)10-21-15-6-3-12(17)4-7-15/h2-8,14,19-20H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol?
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol is sourced from PubChem (CID 63488071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).