N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine

C17H27NO2 — CID 82927332

IUPACN-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCCC(CC)COc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C17H27NO2/c1-4-13(5-2)12-20-17-10-16(19-3)9-6-14(17)11-18-15-7-8-15/h6,9-10,13,15,18H,4-5,7-8,11-12H2,1-3H3
InChIKeyWRFQVNZVWWYLQL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds9

About N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine

N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 82927332) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
PubChem CID82927332
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCCC(CC)COc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C17H27NO2/c1-4-13(5-2)12-20-17-10-16(19-3)9-6-14(17)11-18-15-7-8-15/h6,9-10,13,15,18H,4-5,7-8,11-12H2,1-3H3
InChIKeyWRFQVNZVWWYLQL-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
CID 61268733
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115978909
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine (CID 82927332) is N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine is CCC(CC)COc1cc(OC)ccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is WRFQVNZVWWYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13(5-2)12-20-17-10-16(19-3)9-6-14(17)11-18-15-7-8-15/h6,9-10,13,15,18H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine?
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82927332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).