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

C14H21FN2O — CID 79166538

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
SMILESCCN1CCOC(CNc2cccc(F)c2C)C1
InChIInChI=1S/C14H21FN2O/c1-3-17-7-8-18-12(10-17)9-16-14-6-4-5-13(15)11(14)2/h4-6,12,16H,3,7-10H2,1-2H3
InChIKeyNOYMVDMMZSICEQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds4

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

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline (PubChem CID 79166538) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
PubChem CID79166538
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
SMILESCCN1CCOC(CNc2cccc(F)c2C)C1
InChIInChI=1S/C14H21FN2O/c1-3-17-7-8-18-12(10-17)9-16-14-6-4-5-13(15)11(14)2/h4-6,12,16H,3,7-10H2,1-2H3
InChIKeyNOYMVDMMZSICEQ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164197
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
4-[(4-ethylmorpholin-2-yl)methylamino]-3-fluorobenzonitrile
CID 78952508
2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
CID 114399276
2-[(4-ethylmorpholin-2-yl)methylamino]-6-ethylsulfanylbenzonitrile
CID 114400094
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
CID 114400372
N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 115619054
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline (CID 79166538) is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline is CCN1CCOC(CNc2cccc(F)c2C)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline?
The InChIKey is NOYMVDMMZSICEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-17-7-8-18-12(10-17)9-16-14-6-4-5-13(15)11(14)2/h4-6,12,16H,3,7-10H2,1-2H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline?
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline has a molecular weight of 252.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 79166538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).