N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine

C14H21NO — CID 141046921

IUPACN-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
SMILESC=CCN(C)CCCCOc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-6,9-10H,1,7-8,11-13H2,2H3
InChIKeyBWDJMICADPNULV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds8

About N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine

N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine (PubChem CID 141046921) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
PubChem CID141046921
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
SMILESC=CCN(C)CCCCOc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-6,9-10H,1,7-8,11-13H2,2H3
InChIKeyBWDJMICADPNULV-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
CID 140979271
1-methyl-1-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-3-phenylthiourea
CID 23446596
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone
CID 19043715
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone;hydrobromide
CID 19043714
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
penta-1,4-diene;pentoxybenzene
CID 174999180
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614271
6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine
CID 57191081
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68615610

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine?
The IUPAC name of N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine (CID 141046921) is N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine?
The canonical SMILES for N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine is C=CCN(C)CCCCOc1ccccc1.
What is the InChIKey of N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine?
The InChIKey is BWDJMICADPNULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-6,9-10H,1,7-8,11-13H2,2H3.
What are the key properties of N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine?
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 141046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).