N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine

C12H17FN2O — CID 83010011

IUPACN-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine
SMILESCc1cc(F)ccc1CNN1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-10-8-12(13)3-2-11(10)9-14-15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyJCZNBDCQMITXGM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.47
Rot. Bonds3

About N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine

N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine (PubChem CID 83010011) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine
PubChem CID83010011
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine
SMILESCc1cc(F)ccc1CNN1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-10-8-12(13)3-2-11(10)9-14-15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyJCZNBDCQMITXGM-UHFFFAOYSA-N
XLogP1.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
CID 83014067
4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
CID 86819910
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
N-[(2-propan-2-yloxyphenyl)methyl]morpholin-4-amine
CID 83011368
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
CID 83009516

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine (CID 83010011) is N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine is Cc1cc(F)ccc1CNN1CCOCC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine?
The InChIKey is JCZNBDCQMITXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-10-8-12(13)3-2-11(10)9-14-15-4-6-16-7-5-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine?
N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine has a molecular weight of 224.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83010011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).