3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine

C16H23NO — CID 54931849

IUPAC3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC3CCOC3)C2)c1
InChIInChI=1S/C16H23NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-4,7,13,15-17H,5-6,8-11H2,1H3
InChIKeyNCQXKXBNTGMWAV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine (PubChem CID 54931849) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
PubChem CID54931849
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC3CCOC3)C2)c1
InChIInChI=1S/C16H23NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-4,7,13,15-17H,5-6,8-11H2,1H3
InChIKeyNCQXKXBNTGMWAV-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 106704300
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104530160
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine (CID 54931849) is 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCC3CCOC3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is NCQXKXBNTGMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-4,7,13,15-17H,5-6,8-11H2,1H3.
What are the key properties of 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(oxolan-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 54931849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).