N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine

C16H25NO — CID 112518586

IUPACN-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-5-18-15-7-6-14(10-13(15)4)16(8-9-16)11-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyQMZOIJVXHXIWQL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds6

About N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 112518586) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID112518586
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-5-18-15-7-6-14(10-13(15)4)16(8-9-16)11-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyQMZOIJVXHXIWQL-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine (CID 112518586) is N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine is CCOc1ccc(C2(CNC(C)C)CC2)cc1C.
What is the InChIKey of N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is QMZOIJVXHXIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-18-15-7-6-14(10-13(15)4)16(8-9-16)11-17-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 112518586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).