ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline

C14H26N2O — CID 144589175

IUPACethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline
SMILESC=C.Nc1ccccc1CC[C@@H]1CNCCO1.[H][H].[H][H]
InChIInChI=1S/C12H18N2O.C2H4.2H2/c13-12-4-2-1-3-10(12)5-6-11-9-14-7-8-15-11;1-2;;/h1-4,11,14H,5-9,13H2;1-2H2;2*1H/t11-;;;/m1.../s1
InChIKeyRSLSIAMEDOIGKZ-HCEFKKQBSA-N
MW238.38 g/mol
LogP2.48
Rot. Bonds3

About ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline

ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline (PubChem CID 144589175) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline.

Molecular Properties

Compound Nameethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline
PubChem CID144589175
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Nameethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline
SMILESC=C.Nc1ccccc1CC[C@@H]1CNCCO1.[H][H].[H][H]
InChIInChI=1S/C12H18N2O.C2H4.2H2/c13-12-4-2-1-3-10(12)5-6-11-9-14-7-8-15-11;1-2;;/h1-4,11,14H,5-9,13H2;1-2H2;2*1H/t11-;;;/m1.../s1
InChIKeyRSLSIAMEDOIGKZ-HCEFKKQBSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
(1R)-2-[(2S)-morpholin-2-yl]-1-phenylethanol
CID 91338656
2-morpholin-2-ylethanol;toluene
CID 118211589
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
CID 116868512
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
CID 19424036
2-(7-morpholin-2-ylheptoxy)phenol
CID 118324919
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201

Frequently Asked Questions

What is the IUPAC name of ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline?
The IUPAC name of ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline (CID 144589175) is ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline.
What is the SMILES notation for ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline?
The canonical SMILES for ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline is C=C.Nc1ccccc1CC[C@@H]1CNCCO1.[H][H].[H][H].
What is the InChIKey of ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline?
The InChIKey is RSLSIAMEDOIGKZ-HCEFKKQBSA-N. The full InChI is InChI=1S/C12H18N2O.C2H4.2H2/c13-12-4-2-1-3-10(12)5-6-11-9-14-7-8-15-11;1-2;;/h1-4,11,14H,5-9,13H2;1-2H2;2*1H/t11-;;;/m1.../s1.
What are the key properties of ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline?
ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline has a molecular weight of 238.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;molecular hydrogen;2-[2-[(2R)-morpholin-2-yl]ethyl]aniline is sourced from PubChem (CID 144589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).