4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile

C14H18BrN3O2 — CID 107797947

IUPAC4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1NCC(O)CN1CCOCC1
InChIInChI=1S/C14H18BrN3O2/c15-12-2-1-11(8-16)14(7-12)17-9-13(19)10-18-3-5-20-6-4-18/h1-2,7,13,17,19H,3-6,9-10H2
InChIKeyLUGCOSSKJUYQQN-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.43
Rot. Bonds5

About 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile

4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile (PubChem CID 107797947) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
PubChem CID107797947
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
SMILESN#Cc1ccc(Br)cc1NCC(O)CN1CCOCC1
InChIInChI=1S/C14H18BrN3O2/c15-12-2-1-11(8-16)14(7-12)17-9-13(19)10-18-3-5-20-6-4-18/h1-2,7,13,17,19H,3-6,9-10H2
InChIKeyLUGCOSSKJUYQQN-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 64919645
4-bromo-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]benzonitrile
CID 107797873
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133481608
2-amino-3-(5-bromo-2-cyanoanilino)propanoic acid
CID 107799360
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
4-bromo-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzonitrile
CID 114002519
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 60965677
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
CID 63333868
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
4-bromo-2-[2-(dimethylamino)propylamino]benzonitrile
CID 114901721
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile?
The IUPAC name of 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile (CID 107797947) is 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile is N#Cc1ccc(Br)cc1NCC(O)CN1CCOCC1.
What is the InChIKey of 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile?
The InChIKey is LUGCOSSKJUYQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-12-2-1-11(8-16)14(7-12)17-9-13(19)10-18-3-5-20-6-4-18/h1-2,7,13,17,19H,3-6,9-10H2.
What are the key properties of 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile?
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile has a molecular weight of 340.22 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 107797947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).