1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol

C14H22BrNO2 — CID 60898402

IUPAC1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-10(2)8-18-9-12(17)7-16-14-5-4-11(3)6-13(14)15/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyJABDXGBFSVNBLC-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.20
Rot. Bonds7

About 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol

1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 60898402) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID60898402
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-10(2)8-18-9-12(17)7-16-14-5-4-11(3)6-13(14)15/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyJABDXGBFSVNBLC-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
[(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]azanium
CID 7452472
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
2-[(2S)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]guanidine
CID 6543362
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-(2-chloro-5-iodoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 114259977
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol (CID 60898402) is 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol is Cc1ccc(NCC(O)COCC(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is JABDXGBFSVNBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(2)8-18-9-12(17)7-16-14-5-4-11(3)6-13(14)15/h4-6,10,12,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol?
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 60898402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).