[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

C16H25BrN2O2 — CID 114777528

IUPAC[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-4-18-8-12-5-6-13(17)7-15(12)19-9-14(10-20)21-16(2,3)11-19/h5-7,14,18,20H,4,8-11H2,1-3H3
InChIKeyKVVKIGZAHZLZPH-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.53
Rot. Bonds5

About [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777528) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777528
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-4-18-8-12-5-6-13(17)7-15(12)19-9-14(10-20)21-16(2,3)11-19/h5-7,14,18,20H,4,8-11H2,1-3H3
InChIKeyKVVKIGZAHZLZPH-UHFFFAOYSA-N
XLogP2.53
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777542
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779373
N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 79188467
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114777535
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777539
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114777528) is [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is CCNCc1ccc(Br)cc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is KVVKIGZAHZLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-4-18-8-12-5-6-13(17)7-15(12)19-9-14(10-20)21-16(2,3)11-19/h5-7,14,18,20H,4,8-11H2,1-3H3.
What are the key properties of [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 357.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).