N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine

C15H25NO — CID 115002194

IUPACN-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
SMILESCCNC(CCOC(C)C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-16-15(10-11-17-12(2)3)14-9-7-6-8-13(14)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyPRRVDTCGDHJVLL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine

N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 115002194) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
PubChem CID115002194
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
SMILESCCNC(CCOC(C)C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-16-15(10-11-17-12(2)3)14-9-7-6-8-13(14)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyPRRVDTCGDHJVLL-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
1-(2-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 107985219
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine (CID 115002194) is N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine is CCNC(CCOC(C)C)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is PRRVDTCGDHJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-15(10-11-17-12(2)3)14-9-7-6-8-13(14)4/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine?
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 115002194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).