1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol

C14H21BrN2O2 — CID 63333868

IUPAC1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(NCC(O)CN2CCOCC2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-11-2-3-12(8-14(11)15)16-9-13(18)10-17-4-6-19-7-5-17/h2-3,8,13,16,18H,4-7,9-10H2,1H3
InChIKeyHWRVWHJMNIKOSW-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.86
Rot. Bonds5

About 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol

1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 63333868) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
PubChem CID63333868
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(NCC(O)CN2CCOCC2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-11-2-3-12(8-14(11)15)16-9-13(18)10-17-4-6-19-7-5-17/h2-3,8,13,16,18H,4-7,9-10H2,1H3
InChIKeyHWRVWHJMNIKOSW-UHFFFAOYSA-N
XLogP1.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383205
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
CID 107797947
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-(3-bromo-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63334174
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol (CID 63333868) is 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol is Cc1ccc(NCC(O)CN2CCOCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is HWRVWHJMNIKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11-2-3-12(8-14(11)15)16-9-13(18)10-17-4-6-19-7-5-17/h2-3,8,13,16,18H,4-7,9-10H2,1H3.
What are the key properties of 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol?
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 329.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 63333868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).