N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine

C14H21NO — CID 66043980

IUPACN-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
SMILESC=C(CC)COc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H21NO/c1-5-11(2)10-16-14-8-6-13(7-9-14)12(3)15-4/h6-9,12,15H,2,5,10H2,1,3-4H3
InChIKeyRHORQFMVTNWCEG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine

N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine (PubChem CID 66043980) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
PubChem CID66043980
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
SMILESC=C(CC)COc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H21NO/c1-5-11(2)10-16-14-8-6-13(7-9-14)12(3)15-4/h6-9,12,15H,2,5,10H2,1,3-4H3
InChIKeyRHORQFMVTNWCEG-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine 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

N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 63899797
1-[3-[3-[4-[(1R)-1-(methylamino)ethyl]phenoxy]propoxy]propoxy]propan-2-one
CID 126671533
(1S)-1-[3-(2-methylidenebutoxy)phenyl]ethanamine
CID 66046862
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
4-[4-[1-(methylamino)ethyl]phenoxy]butanenitrile
CID 60880983
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine (CID 66043980) is N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine is C=C(CC)COc1ccc(C(C)NC)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine?
The InChIKey is RHORQFMVTNWCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-11(2)10-16-14-8-6-13(7-9-14)12(3)15-4/h6-9,12,15H,2,5,10H2,1,3-4H3.
What are the key properties of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine?
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine is sourced from PubChem (CID 66043980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).