1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine

C16H25NO — CID 116723227

IUPAC1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H25NO/c1-4-18-16(13-7-8-13)15(17)10-14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3
InChIKeyBGUGAEAXIKEJMF-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.99
Rot. Bonds6

About 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine

1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine (PubChem CID 116723227) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
PubChem CID116723227
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C16H25NO/c1-4-18-16(13-7-8-13)15(17)10-14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3
InChIKeyBGUGAEAXIKEJMF-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine (CID 116723227) is 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine is CCOC(C(N)Cc1cc(C)ccc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine?
The InChIKey is BGUGAEAXIKEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-16(13-7-8-13)15(17)10-14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine?
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine is sourced from PubChem (CID 116723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).