N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine

C14H21FN2O — CID 114065584

IUPACN-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11,16H,6-10H2,1-2H3
InChIKeyGVOWRNCCMWDZLU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds4

About N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine

N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine (PubChem CID 114065584) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine
PubChem CID114065584
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11,16H,6-10H2,1-2H3
InChIKeyGVOWRNCCMWDZLU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
Benzenamine, 2-ethyl-N-[(1S)-2-methoxy-1-methylethyl]-6-methyl-
CID 10130489
(4-Methylbenzyl)(4-morpholin-4-ylphenyl)amine
CID 961186
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
CID 867403
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine (CID 114065584) is N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine is CC(C)NCc1c(F)cccc1N1CCOCC1.
What is the InChIKey of N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine?
The InChIKey is GVOWRNCCMWDZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)16-10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11,16H,6-10H2,1-2H3.
What are the key properties of N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine?
N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 114065584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).