[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine

C15H23NO — CID 113404750

IUPAC[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
SMILESCC(C)COc1ccc(C2(CN)CC2C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)9-17-14-6-4-13(5-7-14)15(10-16)8-12(15)3/h4-7,11-12H,8-10,16H2,1-3H3
InChIKeyJFTHCSQYGMWIIB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.96
Rot. Bonds5

About [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine

[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine (PubChem CID 113404750) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
PubChem CID113404750
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
SMILESCC(C)COc1ccc(C2(CN)CC2C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)9-17-14-6-4-13(5-7-14)15(10-16)8-12(15)3/h4-7,11-12H,8-10,16H2,1-3H3
InChIKeyJFTHCSQYGMWIIB-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 65016920
[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
CID 54376856
N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404833
1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016671
[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
CID 95467774
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
CID 79679892
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
CID 28937692
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine?
The IUPAC name of [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine (CID 113404750) is [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine is CC(C)COc1ccc(C2(CN)CC2C)cc1.
What is the InChIKey of [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine?
The InChIKey is JFTHCSQYGMWIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)9-17-14-6-4-13(5-7-14)15(10-16)8-12(15)3/h4-7,11-12H,8-10,16H2,1-3H3.
What are the key properties of [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine?
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 113404750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).