(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine

C12H16N2O — CID 143346288

IUPAC(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine
SMILESC=C(OC)c1ccc([C@@H](N)C(=C)N)cc1
InChIInChI=1S/C12H16N2O/c1-8(13)12(14)11-6-4-10(5-7-11)9(2)15-3/h4-7,12H,1-2,13-14H2,3H3/t12-/m0/s1
InChIKeyCMEUNMYKDGFFPB-LBPRGKRZSA-N
MW204.27 g/mol
LogP1.78
Rot. Bonds4

About (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine

(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine (PubChem CID 143346288) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine
PubChem CID143346288
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine
SMILESC=C(OC)c1ccc([C@@H](N)C(=C)N)cc1
InChIInChI=1S/C12H16N2O/c1-8(13)12(14)11-6-4-10(5-7-11)9(2)15-3/h4-7,12H,1-2,13-14H2,3H3/t12-/m0/s1
InChIKeyCMEUNMYKDGFFPB-LBPRGKRZSA-N
XLogP1.78
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-(1-methoxyethenyl)phenyl]methanediol
CID 118121017
4-(1-methoxyethenyl)aniline
CID 67566303
(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine
CID 143345571
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl 4-[(1R)-1-aminoprop-2-enyl]benzoate;hydrochloride
CID 171212672
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
2-[4-(1-methoxyethenyl)phenyl]acetic acid
CID 91083369
2-bromo-1-fluoro-4-(1-methoxyethenyl)benzene
CID 123293417
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
3-(1-methoxyethenyl)aniline
CID 89340134
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine?
The IUPAC name of (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine (CID 143346288) is (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine?
The canonical SMILES for (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine is C=C(OC)c1ccc([C@@H](N)C(=C)N)cc1.
What is the InChIKey of (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine?
The InChIKey is CMEUNMYKDGFFPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(13)12(14)11-6-4-10(5-7-11)9(2)15-3/h4-7,12H,1-2,13-14H2,3H3/t12-/m0/s1.
What are the key properties of (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine?
(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine has a molecular weight of 204.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 143346288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).