N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine

C14H21NO — CID 79114272

IUPACN-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
SMILESC=CCCCOCc1ccc(CNC)cc1
InChIInChI=1S/C14H21NO/c1-3-4-5-10-16-12-14-8-6-13(7-9-14)11-15-2/h3,6-9,15H,1,4-5,10-12H2,2H3
InChIKeyWZFXMVLZZHAUAP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds8

About N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine

N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine (PubChem CID 79114272) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
PubChem CID79114272
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
SMILESC=CCCCOCc1ccc(CNC)cc1
InChIInChI=1S/C14H21NO/c1-3-4-5-10-16-12-14-8-6-13(7-9-14)11-15-2/h3,6-9,15H,1,4-5,10-12H2,2H3
InChIKeyWZFXMVLZZHAUAP-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
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-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
CID 105351103
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841
1-(pent-4-enoxymethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]benzene
CID 67677311
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113639
1-(4-but-2-enylcyclohexyl)-4-(pent-4-enoxymethyl)benzene
CID 54568154
1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
CID 155664426
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
1-(4-but-2-enylcyclohexyl)-4-[4-(pent-4-enoxymethyl)phenyl]benzene
CID 54215959

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine (CID 79114272) is N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine is C=CCCCOCc1ccc(CNC)cc1.
What is the InChIKey of N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine?
The InChIKey is WZFXMVLZZHAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-5-10-16-12-14-8-6-13(7-9-14)11-15-2/h3,6-9,15H,1,4-5,10-12H2,2H3.
What are the key properties of N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine?
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine is sourced from PubChem (CID 79114272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).