1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine

C18H20N2O — CID 66780613

IUPAC1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
SMILESC=CC(N)c1ccccc1Oc1ccccc1C(N)C=C
InChIInChI=1S/C18H20N2O/c1-3-15(19)13-9-5-7-11-17(13)21-18-12-8-6-10-14(18)16(20)4-2/h3-12,15-16H,1-2,19-20H2
InChIKeyCCVLIYSOFHYQHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine

1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine (PubChem CID 66780613) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
PubChem CID66780613
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
SMILESC=CC(N)c1ccccc1Oc1ccccc1C(N)C=C
InChIInChI=1S/C18H20N2O/c1-3-15(19)13-9-5-7-11-17(13)21-18-12-8-6-10-14(18)16(20)4-2/h3-12,15-16H,1-2,19-20H2
InChIKeyCCVLIYSOFHYQHR-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene
CID 70141403
2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
methyl 2-(1-aminoprop-2-enyl)benzoate
CID 55273235
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
(1S)-1-(2-nitrophenyl)prop-2-en-1-amine
CID 131167778
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
CID 175540729

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine?
The IUPAC name of 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine (CID 66780613) is 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine.
What is the SMILES notation for 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine?
The canonical SMILES for 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine is C=CC(N)c1ccccc1Oc1ccccc1C(N)C=C.
What is the InChIKey of 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine?
The InChIKey is CCVLIYSOFHYQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-15(19)13-9-5-7-11-17(13)21-18-12-8-6-10-14(18)16(20)4-2/h3-12,15-16H,1-2,19-20H2.
What are the key properties of 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine?
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine is sourced from PubChem (CID 66780613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).