1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

C18H19NO — CID 28664190

IUPAC1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C18H19NO/c1-3-11-20-18-10-5-4-9-17(18)14-19-13-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3
InChIKeyGKNMQAHMRNMXPT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.30
Rot. Bonds6

About 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (PubChem CID 28664190) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
PubChem CID28664190
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C18H19NO/c1-3-11-20-18-10-5-4-9-17(18)14-19-13-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3
InChIKeyGKNMQAHMRNMXPT-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.30
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

N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
CID 94074211
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
1-(3-chloro-4-fluorophenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 62539411
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 32556155
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
2-fluoro-5-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28968124
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
3-[[[2-(cyanomethoxy)phenyl]methylamino]methyl]benzonitrile
CID 60917756
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107234132

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (CID 28664190) is 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is C#CCOc1ccccc1CNCc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The InChIKey is GKNMQAHMRNMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-11-20-18-10-5-4-9-17(18)14-19-13-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is sourced from PubChem (CID 28664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).