N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine

C19H21NO — CID 62340692

IUPACN-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-15-11-12-19(18(14-15)16(2)20-3)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,20H,13H2,1-3H3
InChIKeyUBTLMGJBBJDPKB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.71
Rot. Bonds4

About N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine

N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine (PubChem CID 62340692) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
PubChem CID62340692
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-15-11-12-19(18(14-15)16(2)20-3)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,20H,13H2,1-3H3
InChIKeyUBTLMGJBBJDPKB-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.71
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

2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 62379196
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
N-methyl-1-[5-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116615019
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine (CID 62340692) is N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine is CNC(C)c1cc(C)ccc1OCC#Cc1ccccc1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The InChIKey is UBTLMGJBBJDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-11-12-19(18(14-15)16(2)20-3)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,20H,13H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine is sourced from PubChem (CID 62340692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).