3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine

C15H23NO — CID 115671617

IUPAC3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
SMILESCCCOc1cccc(CNC2CC(C)C2)c1
InChIInChI=1S/C15H23NO/c1-3-7-17-15-6-4-5-13(10-15)11-16-14-8-12(2)9-14/h4-6,10,12,14,16H,3,7-9,11H2,1-2H3
InChIKeyRMEBHYMNENAROZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.36
Rot. Bonds6

About 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine

3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 115671617) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID115671617
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
SMILESCCCOc1cccc(CNC2CC(C)C2)c1
InChIInChI=1S/C15H23NO/c1-3-7-17-15-6-4-5-13(10-15)11-16-14-8-12(2)9-14/h4-6,10,12,14,16H,3,7-9,11H2,1-2H3
InChIKeyRMEBHYMNENAROZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
CID 113243187
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
CID 64730838
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine (CID 115671617) is 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine is CCCOc1cccc(CNC2CC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is RMEBHYMNENAROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-7-17-15-6-4-5-13(10-15)11-16-14-8-12(2)9-14/h4-6,10,12,14,16H,3,7-9,11H2,1-2H3.
What are the key properties of 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine?
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115671617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).