N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine

C18H19NO — CID 62584748

IUPACN-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-2-12-19-13-14-20-18-10-8-17(9-11-18)15-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2
InChIKeyUOAILCZNNQHOBU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine

N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine (PubChem CID 62584748) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine
PubChem CID62584748
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-2-12-19-13-14-20-18-10-8-17(9-11-18)15-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2
InChIKeyUOAILCZNNQHOBU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-[2-(4-ethylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571188
N-[2-[4-(4-bromophenyl)phenoxy]ethyl]prop-2-yn-1-amine
CID 62597207
N-[2-(3-phenylpropoxy)ethyl]prop-2-yn-1-amine
CID 62584620
3-[3-(4-benzylphenoxy)propylamino]propanoic acid
CID 10425734
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
CID 17332734
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
1-benzyl-4-(3-propoxypropoxy)benzene
CID 14353109
2-phenoxy-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106428356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine (CID 62584748) is N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine is C#CCNCCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine?
The InChIKey is UOAILCZNNQHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-12-19-13-14-20-18-10-8-17(9-11-18)15-16-6-4-3-5-7-16/h1,3-11,19H,12-15H2.
What are the key properties of N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine?
N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 62584748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).