N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine

C15H23NO — CID 113322961

IUPACN-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
SMILESC=CCCCOc1ccc(CC(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-4-5-6-11-17-15-9-7-14(8-10-15)12-13(2)16-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3
InChIKeyUSZZFQOZFNOEMS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds8

About N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine

N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine (PubChem CID 113322961) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
PubChem CID113322961
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
SMILESC=CCCCOc1ccc(CC(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-4-5-6-11-17-15-9-7-14(8-10-15)12-13(2)16-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3
InChIKeyUSZZFQOZFNOEMS-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
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

1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
CID 115494840
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine?
The IUPAC name of N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine (CID 113322961) is N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine?
The canonical SMILES for N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine is C=CCCCOc1ccc(CC(C)NC)cc1.
What is the InChIKey of N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine?
The InChIKey is USZZFQOZFNOEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-6-11-17-15-9-7-14(8-10-15)12-13(2)16-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3.
What are the key properties of N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine?
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 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-enoxyphenyl)propan-2-amine is sourced from PubChem (CID 113322961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).