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

C15H23NO — CID 115494827

IUPACN-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-5-12(2)11-17-15-8-6-14(7-9-15)10-13(3)16-4/h6-9,13,16H,2,5,10-11H2,1,3-4H3
InChIKeyBIOGCAILYRYDDH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds7

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

N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine (PubChem CID 115494827) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
PubChem CID115494827
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-5-12(2)11-17-15-8-6-14(7-9-15)10-13(3)16-4/h6-9,13,16H,2,5,10-11H2,1,3-4H3
InChIKeyBIOGCAILYRYDDH-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66043980
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
CID 82262496
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
CID 115494643
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine (CID 115494827) is N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine is C=C(CC)COc1ccc(CC(C)NC)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The InChIKey is BIOGCAILYRYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12(2)11-17-15-8-6-14(7-9-15)10-13(3)16-4/h6-9,13,16H,2,5,10-11H2,1,3-4H3.
What are the key properties of N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine?
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 7 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]propan-2-amine is sourced from PubChem (CID 115494827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).