[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol

C16H25BrN2O2 — CID 102932098

IUPAC[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CC(C)OC(CO)C1
InChIInChI=1S/C16H25BrN2O2/c1-3-15(18)16(12-4-6-13(17)7-5-12)19-8-11(2)21-14(9-19)10-20/h4-7,11,14-16,20H,3,8-10,18H2,1-2H3
InChIKeyVWKYKKQTLQRPMS-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.31
Rot. Bonds5

About [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol

[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932098) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932098
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CC(C)OC(CO)C1
InChIInChI=1S/C16H25BrN2O2/c1-3-15(18)16(12-4-6-13(17)7-5-12)19-8-11(2)21-14(9-19)10-20/h4-7,11,14-16,20H,3,8-10,18H2,1-2H3
InChIKeyVWKYKKQTLQRPMS-UHFFFAOYSA-N
XLogP2.31
TPSA58.72 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol (CID 102932098) is [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol is CCC(N)C(c1ccc(Br)cc1)N1CC(C)OC(CO)C1.
What is the InChIKey of [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is VWKYKKQTLQRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-3-15(18)16(12-4-6-13(17)7-5-12)19-8-11(2)21-14(9-19)10-20/h4-7,11,14-16,20H,3,8-10,18H2,1-2H3.
What are the key properties of [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 357.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).