2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine

C18H19NO — CID 2235790

IUPAC2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccc(CNCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-2-14-20-18-10-8-17(9-11-18)15-19-13-12-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2
InChIKeyPKAUIEGMVBIQMK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.03
Rot. Bonds7

About 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine

2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 2235790) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID2235790
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1ccc(CNCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-2-14-20-18-10-8-17(9-11-18)15-19-13-12-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2
InChIKeyPKAUIEGMVBIQMK-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.03
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-ethynylphenyl)methyl]-2-phenylethanamine
CID 87605259
2-methyl-1-(2-phenylethyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111134841
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883
ethane;prop-2-ynoxybenzene
CID 144946264
2-(cyclohexen-1-yl)-N-[(3-prop-2-ynoxyphenyl)methyl]ethanamine
CID 94074436
N-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-2-phenylethanamine
CID 2982485
1-[3-(benzylsulfinylmethyl)phenyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86962670

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine (CID 2235790) is 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1ccc(CNCCc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is PKAUIEGMVBIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-14-20-18-10-8-17(9-11-18)15-19-13-12-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2.
What are the key properties of 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine?
2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).