N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine

C17H25NO — CID 55204741

IUPACN-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCC2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C17H25NO/c1-13-6-9-17(19-12-14-4-2-3-5-14)15(10-13)11-18-16-7-8-16/h6,9-10,14,16,18H,2-5,7-8,11-12H2,1H3
InChIKeySEPYISHYXJIBNF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.82
Rot. Bonds6

About N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine

N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine (PubChem CID 55204741) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
PubChem CID55204741
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCC2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C17H25NO/c1-13-6-9-17(19-12-14-4-2-3-5-14)15(10-13)11-18-16-7-8-16/h6,9-10,14,16,18H,2-5,7-8,11-12H2,1H3
InChIKeySEPYISHYXJIBNF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 65458475
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine (CID 55204741) is N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine is Cc1ccc(OCC2CCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine?
The InChIKey is SEPYISHYXJIBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-9-17(19-12-14-4-2-3-5-14)15(10-13)11-18-16-7-8-16/h6,9-10,14,16,18H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine?
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55204741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).