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

C16H26ClNO2 — CID 60904275

IUPAC1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-8-14(17)6-5-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3
InChIKeyRBWYZLAQISSHMF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.87
Rot. Bonds8

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

1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60904275) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60904275
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-8-14(17)6-5-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3
InChIKeyRBWYZLAQISSHMF-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60904275) is 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is Cc1ccc(Cl)cc1NCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is RBWYZLAQISSHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-8-14(17)6-5-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 299.84 g/mol, XLogP of 3.87, 8 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-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60904275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).