2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine

C15H23NO — CID 112547457

IUPAC2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-5-7-13(8-6-12)17-10-11-9-14(11)16-4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyLHTXYGVEWUVPSO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.97
Rot. Bonds4

About 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine

2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine (PubChem CID 112547457) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
PubChem CID112547457
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-5-7-13(8-6-12)17-10-11-9-14(11)16-4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyLHTXYGVEWUVPSO-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547426
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 112547441
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
CID 144526488
3-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 57018133
1-(4-tert-butylphenoxy)-N,2-dimethylpropan-2-amine
CID 94686640
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381555

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine (CID 112547457) is 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine is CNC1CC1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is LHTXYGVEWUVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)12-5-7-13(8-6-12)17-10-11-9-14(11)16-4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine?
2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 112547457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).