N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine

C15H21NO — CID 106209643

IUPACN-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
SMILESC#CCCCCNC(COC)c1ccccc1
InChIInChI=1S/C15H21NO/c1-3-4-5-9-12-16-15(13-17-2)14-10-7-6-8-11-14/h1,6-8,10-11,15-16H,4-5,9,12-13H2,2H3
InChIKeyXPELKNXUQPXIOA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds8

About N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine

N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine (PubChem CID 106209643) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
PubChem CID106209643
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
SMILESC#CCCCCNC(COC)c1ccccc1
InChIInChI=1S/C15H21NO/c1-3-4-5-9-12-16-15(13-17-2)14-10-7-6-8-11-14/h1,6-8,10-11,15-16H,4-5,9,12-13H2,2H3
InChIKeyXPELKNXUQPXIOA-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
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'}

Analyze N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hex-5-ynyl-3,3-dimethyl-1-phenylbutan-1-amine
CID 106209698
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine (CID 106209643) is N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine is C#CCCCCNC(COC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine?
The InChIKey is XPELKNXUQPXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-5-9-12-16-15(13-17-2)14-10-7-6-8-11-14/h1,6-8,10-11,15-16H,4-5,9,12-13H2,2H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine?
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine is sourced from PubChem (CID 106209643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).