4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline

C14H21BrN2O — CID 79165325

IUPAC4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
SMILESCCN1CCOC(CNc2ccc(Br)c(C)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-3-17-6-7-18-13(10-17)9-16-12-4-5-14(15)11(2)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3
InChIKeyRAQVPEPPIKOYSQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.89
Rot. Bonds4

About 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline

4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline (PubChem CID 79165325) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
PubChem CID79165325
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
SMILESCCN1CCOC(CNc2ccc(Br)c(C)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-3-17-6-7-18-13(10-17)9-16-12-4-5-14(15)11(2)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3
InChIKeyRAQVPEPPIKOYSQ-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
2-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 114400165
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 114400602

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline (CID 79165325) is 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline is CCN1CCOC(CNc2ccc(Br)c(C)c2)C1.
What is the InChIKey of 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline?
The InChIKey is RAQVPEPPIKOYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-17-6-7-18-13(10-17)9-16-12-4-5-14(15)11(2)8-12/h4-5,8,13,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline?
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline has a molecular weight of 313.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline is sourced from PubChem (CID 79165325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).