N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine

C17H27BrN2O — CID 63060934

IUPACN-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2cc(Br)ccc2CNCC(C)C)CCO1
InChIInChI=1S/C17H27BrN2O/c1-4-16-12-20(7-8-21-16)17-9-15(18)6-5-14(17)11-19-10-13(2)3/h5-6,9,13,16,19H,4,7-8,10-12H2,1-3H3
InChIKeyNSPAHRRGWJBGKF-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.81
Rot. Bonds6

About N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63060934) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63060934
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2cc(Br)ccc2CNCC(C)C)CCO1
InChIInChI=1S/C17H27BrN2O/c1-4-16-12-20(7-8-21-16)17-9-15(18)6-5-14(17)11-19-10-13(2)3/h5-6,9,13,16,19H,4,7-8,10-12H2,1-3H3
InChIKeyNSPAHRRGWJBGKF-UHFFFAOYSA-N
XLogP3.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070733
N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 63058751
N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63072054
4-bromo-2-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114218416
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
[4-[2-(ethylaminomethyl)phenyl]morpholin-2-yl]methanol
CID 81204640
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 66110707

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63060934) is N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine is CCC1CN(c2cc(Br)ccc2CNCC(C)C)CCO1.
What is the InChIKey of N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NSPAHRRGWJBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-16-12-20(7-8-21-16)17-9-15(18)6-5-14(17)11-19-10-13(2)3/h5-6,9,13,16,19H,4,7-8,10-12H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63060934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).