N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine

C17H28N2O — CID 62417039

IUPACN-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccccc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-13-14-7-5-6-8-16(14)20-12-11-19(4)15-9-10-15/h5-8,15,18H,9-13H2,1-4H3
InChIKeySXOSVFHBSKHEAI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 62417039) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID62417039
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccccc1CNC(C)(C)C)C1CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-13-14-7-5-6-8-16(14)20-12-11-19(4)15-9-10-15/h5-8,15,18H,9-13H2,1-4H3
InChIKeySXOSVFHBSKHEAI-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753988
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63063933
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
1-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 118531540
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine (CID 62417039) is N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine is CN(CCOc1ccccc1CNC(C)(C)C)C1CC1.
What is the InChIKey of N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is SXOSVFHBSKHEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-13-14-7-5-6-8-16(14)20-12-11-19(4)15-9-10-15/h5-8,15,18H,9-13H2,1-4H3.
What are the key properties of N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 62417039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).