(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine

C25H28NP — CID 102310608

IUPAC(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine
SMILESC/C(=C\c1cccc([C@H](C)N(C)C)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NP/c1-20(18-22-12-11-13-23(19-22)21(2)26(3)4)27(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-19,21H,1-4H3/b20-18+/t21-/m0/s1
InChIKeyDOTQOSABDYFSGI-LSSWGTAKSA-N
MW373.48 g/mol
LogP5.80
Rot. Bonds6

About (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine

(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine (PubChem CID 102310608) has the molecular formula C25H28NP and a molecular weight of 373.48 g/mol. Its IUPAC name is (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine
PubChem CID102310608
Molecular FormulaC25H28NP
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine
SMILESC/C(=C\c1cccc([C@H](C)N(C)C)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NP/c1-20(18-22-12-11-13-23(19-22)21(2)26(3)4)27(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-19,21H,1-4H3/b20-18+/t21-/m0/s1
InChIKeyDOTQOSABDYFSGI-LSSWGTAKSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane
CID 10968687
[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
CID 168531880
5-[[3-[1-(dimethylamino)ethyl]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598311
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
2-[2-[[3-[1-(dimethylamino)ethyl]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620080
1-[(Z)-3-bromo-2-methylprop-1-enyl]-3-(difluoromethyl)benzene
CID 115530172

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine (CID 102310608) is (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine is C/C(=C\c1cccc([C@H](C)N(C)C)c1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine?
The InChIKey is DOTQOSABDYFSGI-LSSWGTAKSA-N. The full InChI is InChI=1S/C25H28NP/c1-20(18-22-12-11-13-23(19-22)21(2)26(3)4)27(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-19,21H,1-4H3/b20-18+/t21-/m0/s1.
What are the key properties of (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine?
(1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 373.48 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(E)-2-diphenylphosphanylprop-1-enyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 102310608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).