N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

C16H25NO — CID 62456997

IUPACN-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)OCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(2,3)18-12-14-7-5-13(6-8-14)11-17-15-9-10-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyFYBXPMYXLBRTES-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds7

About N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62456997) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62456997
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)OCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(2,3)18-12-14-7-5-13(6-8-14)11-17-15-9-10-15/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyFYBXPMYXLBRTES-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 114199199
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (CID 62456997) is N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is CCC(C)(C)OCc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is FYBXPMYXLBRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(2,3)18-12-14-7-5-13(6-8-14)11-17-15-9-10-15/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62456997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).