N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine

C16H25NO — CID 105351103

IUPACN-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
SMILESC=CCCCOCc1ccc(C(C)CNC)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-11-18-13-15-7-9-16(10-8-15)14(2)12-17-3/h4,7-10,14,17H,1,5-6,11-13H2,2-3H3
InChIKeyNTJXJAHQOLQPRY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds9

About N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine

N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine (PubChem CID 105351103) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
PubChem CID105351103
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
SMILESC=CCCCOCc1ccc(C(C)CNC)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-11-18-13-15-7-9-16(10-8-15)14(2)12-17-3/h4,7-10,14,17H,1,5-6,11-13H2,2-3H3
InChIKeyNTJXJAHQOLQPRY-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
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-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(4-methylpentoxymethyl)phenyl]propan-1-amine
CID 105349727
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350603

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine (CID 105351103) is N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine is C=CCCCOCc1ccc(C(C)CNC)cc1.
What is the InChIKey of N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine?
The InChIKey is NTJXJAHQOLQPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-11-18-13-15-7-9-16(10-8-15)14(2)12-17-3/h4,7-10,14,17H,1,5-6,11-13H2,2-3H3.
What are the key properties of N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine?
N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105351103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).