1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine

C14H19NO — CID 60877811

IUPAC1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESC#CCCOc1c(C)cc(CNC)cc1C
InChIInChI=1S/C14H19NO/c1-5-6-7-16-14-11(2)8-13(10-15-4)9-12(14)3/h1,8-9,15H,6-7,10H2,2-4H3
InChIKeyMFHSYEYDILOQNP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine

1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 60877811) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID60877811
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESC#CCCOc1c(C)cc(CNC)cc1C
InChIInChI=1S/C14H19NO/c1-5-6-7-16-14-11(2)8-13(10-15-4)9-12(14)3/h1,8-9,15H,6-7,10H2,2-4H3
InChIKeyMFHSYEYDILOQNP-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-but-3-ynoxy-3,5-dimethylphenyl)methyl]propan-2-amine
CID 55028257
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 112588003
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60879861
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65211332
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
4-hept-6-ynoxy-3,5-dimethylbenzonitrile
CID 19804371
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
N-[(4-but-3-ynoxy-3,5-dimethoxyphenyl)methyl]propan-2-amine
CID 60889840

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine (CID 60877811) is 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine is C#CCCOc1c(C)cc(CNC)cc1C.
What is the InChIKey of 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is MFHSYEYDILOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-6-7-16-14-11(2)8-13(10-15-4)9-12(14)3/h1,8-9,15H,6-7,10H2,2-4H3.
What are the key properties of 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 60877811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).