2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine

C14H19NO — CID 62570737

IUPAC2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)Oc1cc(C)ccc1C
InChIInChI=1S/C14H19NO/c1-5-8-15-10-13(4)16-14-9-11(2)6-7-12(14)3/h1,6-7,9,13,15H,8,10H2,2-4H3
InChIKeyOVHRIWURCURTHX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.29
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine

2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine (PubChem CID 62570737) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
PubChem CID62570737
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)Oc1cc(C)ccc1C
InChIInChI=1S/C14H19NO/c1-5-8-15-10-13(4)16-14-9-11(2)6-7-12(14)3/h1,6-7,9,13,15H,8,10H2,2-4H3
InChIKeyOVHRIWURCURTHX-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.29
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

2-(3,4-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62573056
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-(4-chloro-2-methylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62571552
2-(2,4-difluorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572544
2-(4-bromo-2-propan-2-ylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 115402823
2-(2,5-dibromo-4-methoxyphenoxy)-N-prop-2-ynylpropan-1-amine
CID 79403408
2-(2-bromo-4-chlorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572486
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine (CID 62570737) is 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)Oc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine?
The InChIKey is OVHRIWURCURTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-8-15-10-13(4)16-14-9-11(2)6-7-12(14)3/h1,6-7,9,13,15H,8,10H2,2-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine?
2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 62570737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).