N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine

C14H19NO — CID 62388606

IUPACN-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
SMILESC=CC(C)Oc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-3-11(2)16-14-6-4-5-12(9-14)10-15-13-7-8-13/h3-6,9,11,13,15H,1,7-8,10H2,2H3
InChIKeyCECDWTJGLQEQDP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.89
Rot. Bonds6

About N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine

N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 62388606) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID62388606
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
SMILESC=CC(C)Oc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-3-11(2)16-14-6-4-5-12(9-14)10-15-13-7-8-13/h3-6,9,11,13,15H,1,7-8,10H2,2H3
InChIKeyCECDWTJGLQEQDP-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.89
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

N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729

Frequently Asked Questions

What is the IUPAC name of N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine (CID 62388606) is N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine is C=CC(C)Oc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is CECDWTJGLQEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-11(2)16-14-6-4-5-12(9-14)10-15-13-7-8-13/h3-6,9,11,13,15H,1,7-8,10H2,2H3.
What are the key properties of N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 217.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 62388606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).