N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine

C17H27NO2 — CID 65308482

IUPACN-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,12-18-14-5-6-14)10-9-13-11-15(19-3)7-8-16(13)20-4/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3
InChIKeyWYMDOYZCDLGNIA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine

N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine (PubChem CID 65308482) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
PubChem CID65308482
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,12-18-14-5-6-14)10-9-13-11-15(19-3)7-8-16(13)20-4/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3
InChIKeyWYMDOYZCDLGNIA-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloro-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308470
N-[4-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308359
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308480
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine (CID 65308482) is N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine is COc1ccc(OC)c(CCC(C)(C)CNC2CC2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The InChIKey is WYMDOYZCDLGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,12-18-14-5-6-14)10-9-13-11-15(19-3)7-8-16(13)20-4/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine?
N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 65308482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).