N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine

C14H19NO — CID 115495069

IUPACN-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
SMILESC#CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C14H19NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h1,6-9,12,15H,5,10-11H2,2-3H3
InChIKeyKXXVQMKOCXWWNS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.24
Rot. Bonds6

About N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine

N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine (PubChem CID 115495069) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
PubChem CID115495069
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
SMILESC#CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C14H19NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h1,6-9,12,15H,5,10-11H2,2-3H3
InChIKeyKXXVQMKOCXWWNS-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-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-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
2-[(4-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 115656403
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
methyl 2-amino-3-(4-prop-2-ynoxyphenyl)propanoate
CID 61299171
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine (CID 115495069) is N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine is C#CCOc1ccc(CC(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine?
The InChIKey is KXXVQMKOCXWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10-16-14-8-6-13(7-9-14)11-12(3)15-5-2/h1,6-9,12,15H,5,10-11H2,2-3H3.
What are the key properties of N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine?
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine is sourced from PubChem (CID 115495069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).