N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine

C18H19NO — CID 94074211

IUPACN-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C18H19NO/c1-3-11-19-13-17-9-4-5-10-18(17)20-14-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3
InChIKeyZOWPFINOFIATDP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine

N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine (PubChem CID 94074211) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
PubChem CID94074211
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C18H19NO/c1-3-11-19-13-17-9-4-5-10-18(17)20-14-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3
InChIKeyZOWPFINOFIATDP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
CID 62392759
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527797
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine (CID 94074211) is N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine is C#CCNCc1ccccc1OCc1cccc(C)c1.
What is the InChIKey of N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The InChIKey is ZOWPFINOFIATDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-11-19-13-17-9-4-5-10-18(17)20-14-16-8-6-7-15(2)12-16/h1,4-10,12,19H,11,13-14H2,2H3.
What are the key properties of N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine 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 N-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 94074211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).