3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine

C18H20N2O — CID 67646972

IUPAC3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
SMILESNC(=CCOCC=C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-12H,13-14,19-20H2
InChIKeyLHASJOJDQJVJHP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.00
Rot. Bonds6

About 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine

3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine (PubChem CID 67646972) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
PubChem CID67646972
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine
SMILESNC(=CCOCC=C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-12H,13-14,19-20H2
InChIKeyLHASJOJDQJVJHP-UHFFFAOYSA-N
XLogP3.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenylpent-1-en-1-amine
CID 22065568
3-amino-3-phenylprop-2-enethioamide
CID 71410978
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
CID 101356614
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
CID 101199839
(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one
CID 101424539
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
CID 143099574
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine?
The IUPAC name of 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine (CID 67646972) is 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine.
What is the SMILES notation for 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine?
The canonical SMILES for 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine is NC(=CCOCC=C(N)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine?
The InChIKey is LHASJOJDQJVJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-12H,13-14,19-20H2.
What are the key properties of 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine?
3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-phenylprop-2-enoxy)-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 67646972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).