[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine

C8H15ClN2O — CID 107900720

IUPAC[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1C/C=C/Cl
InChIInChI=1S/C8H15ClN2O/c9-2-1-3-11-4-5-12-7-8(11)6-10/h1-2,8H,3-7,10H2/b2-1+
InChIKeyLFBJYVGNUGIOKP-OWOJBTEDSA-N
MW190.67 g/mol
LogP0.40
Rot. Bonds3

About [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine

[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine (PubChem CID 107900720) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine
PubChem CID107900720
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1C/C=C/Cl
InChIInChI=1S/C8H15ClN2O/c9-2-1-3-11-4-5-12-7-8(11)6-10/h1-2,8H,3-7,10H2/b2-1+
InChIKeyLFBJYVGNUGIOKP-OWOJBTEDSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
CID 131234743
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
[4-[(1-methylcyclobutyl)methyl]morpholin-3-yl]methanamine
CID 130601137
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
4-[(E)-4-chlorobut-2-enyl]-3-methylmorpholine
CID 64682961
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
CID 77015374
[(3S)-4-methylsulfonylmorpholin-3-yl]methanamine
CID 155354512
(4-cyclohexylmorpholin-3-yl)methanamine
CID 83095873
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine (CID 107900720) is [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine is NCC1COCCN1C/C=C/Cl.
What is the InChIKey of [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine?
The InChIKey is LFBJYVGNUGIOKP-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H15ClN2O/c9-2-1-3-11-4-5-12-7-8(11)6-10/h1-2,8H,3-7,10H2/b2-1+.
What are the key properties of [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine?
[4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine has a molecular weight of 190.67 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-chloroprop-2-enyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 107900720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).