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

C16H26ClNO2 — CID 60898813

IUPAC1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1c(Cl)cccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)8-12(3)20-10-14(19)9-18-16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18-19H,8-10H2,1-4H3
InChIKeyRDUSEVVIARVPGB-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.87
Rot. Bonds8

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

1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60898813) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60898813
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1c(Cl)cccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)8-12(3)20-10-14(19)9-18-16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18-19H,8-10H2,1-4H3
InChIKeyRDUSEVVIARVPGB-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-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
CID 39240251
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
1-(3-chloro-2-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897095
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
1-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81370810
1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107583341
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]benzonitrile
CID 60901635

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60898813) is 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is Cc1c(Cl)cccc1NCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is RDUSEVVIARVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-11(2)8-12(3)20-10-14(19)9-18-16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18-19H,8-10H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(3-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-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60898813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).