N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine

C17H25NO — CID 65459145

IUPACN-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCC1CCC1
InChIInChI=1S/C17H25NO/c1-12-8-15(10-18-16-6-7-16)9-13(2)17(12)19-11-14-4-3-5-14/h8-9,14,16,18H,3-7,10-11H2,1-2H3
InChIKeyRSIDNCANGCFUBC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.73
Rot. Bonds6

About N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine

N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine (PubChem CID 65459145) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
PubChem CID65459145
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCC1CCC1
InChIInChI=1S/C17H25NO/c1-12-8-15(10-18-16-6-7-16)9-13(2)17(12)19-11-14-4-3-5-14/h8-9,14,16,18H,3-7,10-11H2,1-2H3
InChIKeyRSIDNCANGCFUBC-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
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-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine (CID 65459145) is N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cc(C)c1OCC1CCC1.
What is the InChIKey of N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
The InChIKey is RSIDNCANGCFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-15(10-18-16-6-7-16)9-13(2)17(12)19-11-14-4-3-5-14/h8-9,14,16,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine?
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65459145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).