1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine

C19H22N2 — CID 143355963

IUPAC1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine
SMILESC=C[C@@H](NC(=C)CN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-4-19(17-11-7-5-8-12-17)20-16(2)15-21(3)18-13-9-6-10-14-18/h4-14,19-20H,1-2,15H2,3H3/t19-/m1/s1
InChIKeyBWFNGLWXSHGFFP-LJQANCHMSA-N
MW278.40 g/mol
LogP4.15
Rot. Bonds7

About 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine

1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine (PubChem CID 143355963) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine
PubChem CID143355963
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine
SMILESC=C[C@@H](NC(=C)CN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-4-19(17-11-7-5-8-12-17)20-16(2)15-21(3)18-13-9-6-10-14-18/h4-14,19-20H,1-2,15H2,3H3/t19-/m1/s1
InChIKeyBWFNGLWXSHGFFP-LJQANCHMSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine (CID 143355963) is 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine is C=C[C@@H](NC(=C)CN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine?
The InChIKey is BWFNGLWXSHGFFP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2/c1-4-19(17-11-7-5-8-12-17)20-16(2)15-21(3)18-13-9-6-10-14-18/h4-14,19-20H,1-2,15H2,3H3/t19-/m1/s1.
What are the key properties of 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine?
1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-phenyl-2-N-[(1R)-1-phenylprop-2-enyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 143355963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).