N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine

C14H19NO — CID 62442455

IUPACN-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
SMILESC=CCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-2-8-16-11-13-5-3-4-12(9-13)10-15-14-6-7-14/h2-5,9,14-15H,1,6-8,10-11H2
InChIKeyDHMNVGSWIJRRDB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.64
Rot. Bonds7

About N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62442455) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62442455
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
SMILESC=CCOCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-2-8-16-11-13-5-3-4-12(9-13)10-15-14-6-7-14/h2-5,9,14-15H,1,6-8,10-11H2
InChIKeyDHMNVGSWIJRRDB-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469

Frequently Asked Questions

What is the IUPAC name of N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine (CID 62442455) is N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine is C=CCOCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is DHMNVGSWIJRRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-8-16-11-13-5-3-4-12(9-13)10-15-14-6-7-14/h2-5,9,14-15H,1,6-8,10-11H2.
What are the key properties of N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 217.31 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62442455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).