2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine

C13H19NO — CID 123363290

IUPAC2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine
SMILESC=CCOc1cccc(C(N)C(C)C)c1
InChIInChI=1S/C13H19NO/c1-4-8-15-12-7-5-6-11(9-12)13(14)10(2)3/h4-7,9-10,13H,1,8,14H2,2-3H3
InChIKeyVSACWYFRZHKBIR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds5

About 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine

2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine (PubChem CID 123363290) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine
PubChem CID123363290
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine
SMILESC=CCOc1cccc(C(N)C(C)C)c1
InChIInChI=1S/C13H19NO/c1-4-8-15-12-7-5-6-11(9-12)13(14)10(2)3/h4-7,9-10,13H,1,8,14H2,2-3H3
InChIKeyVSACWYFRZHKBIR-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
2-amino-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278592
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
ethane;3-prop-2-enoxyaniline
CID 143673688
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22346232
1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60880709
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine (CID 123363290) is 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine is C=CCOc1cccc(C(N)C(C)C)c1.
What is the InChIKey of 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine?
The InChIKey is VSACWYFRZHKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-8-15-12-7-5-6-11(9-12)13(14)10(2)3/h4-7,9-10,13H,1,8,14H2,2-3H3.
What are the key properties of 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine?
2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine is sourced from PubChem (CID 123363290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).