1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine

C14H19NO — CID 106791784

IUPAC1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccc(C)cc1OC
InChIInChI=1S/C14H19NO/c1-5-6-7-13(15-3)12-9-8-11(2)10-14(12)16-4/h1,8-10,13,15H,6-7H2,2-4H3
InChIKeyLTNZEDCIGICSSW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.68
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine

1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine (PubChem CID 106791784) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
PubChem CID106791784
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccc(C)cc1OC
InChIInChI=1S/C14H19NO/c1-5-6-7-13(15-3)12-9-8-11(2)10-14(12)16-4/h1,8-10,13,15H,6-7H2,2-4H3
InChIKeyLTNZEDCIGICSSW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 106791601
1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
CID 115859214
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2,5-dibromophenyl)-N-methylpent-4-yn-1-amine
CID 115859658
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
N-[1-(2-methoxy-4-methylphenyl)ethyl]hex-1-yn-3-amine
CID 106227116

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine (CID 106791784) is 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine is C#CCCC(NC)c1ccc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine?
The InChIKey is LTNZEDCIGICSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-6-7-13(15-3)12-9-8-11(2)10-14(12)16-4/h1,8-10,13,15H,6-7H2,2-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine?
1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 106791784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).