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

C19H21NO — CID 62340346

IUPACN-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C19H21NO/c1-3-20-16(2)18-12-7-13-19(15-18)21-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,14H2,1-2H3
InChIKeyHUFIKYCTWQMJSH-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.79
Rot. Bonds5

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

N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine (PubChem CID 62340346) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
PubChem CID62340346
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C19H21NO/c1-3-20-16(2)18-12-7-13-19(15-18)21-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,14H2,1-2H3
InChIKeyHUFIKYCTWQMJSH-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.79
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

N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339674
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339211
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
1-butan-2-yl-4-(3-phenylprop-2-ynoxy)benzene
CID 107668986
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81361410
N-[(1S)-1-(3-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81381421
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine (CID 62340346) is N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine is CCNC(C)c1cccc(OCC#Cc2ccccc2)c1.
What is the InChIKey of N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
The InChIKey is HUFIKYCTWQMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-20-16(2)18-12-7-13-19(15-18)21-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,14H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine?
N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine is sourced from PubChem (CID 62340346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).