carbamic acid;3-methyl-2-phenylmorpholine

C12H18N2O3 — CID 22214019

IUPACcarbamic acid;3-methyl-2-phenylmorpholine
SMILESCC1NCCOC1c1ccccc1.NC(=O)O
InChIInChI=1S/C11H15NO.CH3NO2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;2-1(3)4/h2-6,9,11-12H,7-8H2,1H3;2H2,(H,3,4)
InChIKeyWWVQSWXEVYZFIA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.36
Rot. Bonds1

About carbamic acid;3-methyl-2-phenylmorpholine

carbamic acid;3-methyl-2-phenylmorpholine (PubChem CID 22214019) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is carbamic acid;3-methyl-2-phenylmorpholine.

Molecular Properties

Compound Namecarbamic acid;3-methyl-2-phenylmorpholine
PubChem CID22214019
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namecarbamic acid;3-methyl-2-phenylmorpholine
SMILESCC1NCCOC1c1ccccc1.NC(=O)O
InChIInChI=1S/C11H15NO.CH3NO2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;2-1(3)4/h2-6,9,11-12H,7-8H2,1H3;2H2,(H,3,4)
InChIKeyWWVQSWXEVYZFIA-UHFFFAOYSA-N
XLogP1.36
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
CID 93262596
2-(4-ethylphenyl)-3-methylmorpholine
CID 43310155
2-(3-bromophenyl)-3-methylmorpholine
CID 82623438
(2R,3S)-2,3-diphenylmorpholine
CID 56957923
ethanol;2-phenylmorpholin-3-ol
CID 174468375
2-(4-ethoxyphenyl)-3-methylmorpholine
CID 82286594
3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 139343551
2-(4-chlorophenyl)-3-methyl-1,4-oxazepane
CID 43498435
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine
CID 126836923
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
2-benzylmorpholine-3-carboxamide
CID 174842413

Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-methyl-2-phenylmorpholine?
The IUPAC name of carbamic acid;3-methyl-2-phenylmorpholine (CID 22214019) is carbamic acid;3-methyl-2-phenylmorpholine.
What is the SMILES notation for carbamic acid;3-methyl-2-phenylmorpholine?
The canonical SMILES for carbamic acid;3-methyl-2-phenylmorpholine is CC1NCCOC1c1ccccc1.NC(=O)O.
What is the InChIKey of carbamic acid;3-methyl-2-phenylmorpholine?
The InChIKey is WWVQSWXEVYZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.CH3NO2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;2-1(3)4/h2-6,9,11-12H,7-8H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;3-methyl-2-phenylmorpholine?
carbamic acid;3-methyl-2-phenylmorpholine has a molecular weight of 238.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-methyl-2-phenylmorpholine is sourced from PubChem (CID 22214019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).