[3-(3-methylmorpholin-4-yl)phenyl]methanamine

C12H18N2O — CID 102813467

IUPAC[3-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1COCCN1c1cccc(CN)c1
InChIInChI=1S/C12H18N2O/c1-10-9-15-6-5-14(10)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyXSYATRWNQTTZRM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds2

About [3-(3-methylmorpholin-4-yl)phenyl]methanamine

[3-(3-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 102813467) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-(3-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID102813467
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[3-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1COCCN1c1cccc(CN)c1
InChIInChI=1S/C12H18N2O/c1-10-9-15-6-5-14(10)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyXSYATRWNQTTZRM-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;(3S)-3-methyl-4-(3-morpholin-4-ylphenyl)morpholine
CID 145463706
[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 63051426
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
[3-methyl-5-(3-methylmorpholin-4-yl)-1-phenylpyrazol-4-yl]methanamine
CID 43542446
[2-(3-methylmorpholin-4-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381355
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
CID 174464780
4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 175744435
4-[3-(aminomethyl)phenyl]-3-methylpiperazin-2-one
CID 102813996
[4-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 81246555
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3-(3-methylmorpholin-4-yl)phenyl]methanamine (CID 102813467) is [3-(3-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(3-methylmorpholin-4-yl)phenyl]methanamine is CC1COCCN1c1cccc(CN)c1.
What is the InChIKey of [3-(3-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is XSYATRWNQTTZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-9-15-6-5-14(10)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3.
What are the key properties of [3-(3-methylmorpholin-4-yl)phenyl]methanamine?
[3-(3-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102813467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).