2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine

C13H19BrN2O — CID 16792080

IUPAC2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cccc(Br)c2)CCO1
InChIInChI=1S/C13H19BrN2O/c1-10-9-16(5-6-17-10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyRQOUTCPDBZVBPE-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine

2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 16792080) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID16792080
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cccc(Br)c2)CCO1
InChIInChI=1S/C13H19BrN2O/c1-10-9-16(5-6-17-10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3
InChIKeyRQOUTCPDBZVBPE-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 79984860
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16788536
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
2-(2-ethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanamine
CID 43562486
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine (CID 16792080) is 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cccc(Br)c2)CCO1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is RQOUTCPDBZVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-9-16(5-6-17-10)13(8-15)11-3-2-4-12(14)7-11/h2-4,7,10,13H,5-6,8-9,15H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 16792080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).