N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine

C16H23NO — CID 112609988

IUPACN-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCC1CCC1
InChIInChI=1S/C16H23NO/c1-12-4-2-7-14(10-17-15-8-9-15)16(12)18-11-13-5-3-6-13/h2,4,7,13,15,17H,3,5-6,8-11H2,1H3
InChIKeyNALQDZUQDLYYJV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine

N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 112609988) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID112609988
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OCC1CCC1
InChIInChI=1S/C16H23NO/c1-12-4-2-7-14(10-17-15-8-9-15)16(12)18-11-13-5-3-6-13/h2,4,7,13,15,17H,3,5-6,8-11H2,1H3
InChIKeyNALQDZUQDLYYJV-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine (CID 112609988) is N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OCC1CCC1.
What is the InChIKey of N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is NALQDZUQDLYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-4-2-7-14(10-17-15-8-9-15)16(12)18-11-13-5-3-6-13/h2,4,7,13,15,17H,3,5-6,8-11H2,1H3.
What are the key properties of N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112609988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).