N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine

C16H25NO — CID 43276817

IUPACN-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)10-18-16-12(3)7-14(8-13(16)4)9-17-15-5-6-15/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyXYPCAYAUWCJVRN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds6

About N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine

N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43276817) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
PubChem CID43276817
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)10-18-16-12(3)7-14(8-13(16)4)9-17-15-5-6-15/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyXYPCAYAUWCJVRN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63499791
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
N-[[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]cyclopropanamine
CID 116614949
4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-2,2-dimethylbutanenitrile
CID 65250053
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine (CID 43276817) is N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cc(C)c1OCC(C)C.
What is the InChIKey of N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is XYPCAYAUWCJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)10-18-16-12(3)7-14(8-13(16)4)9-17-15-5-6-15/h7-8,11,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43276817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).