[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine

C13H18ClNO — CID 120999976

IUPAC[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine
SMILESCC1CC(CN)(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-10-6-13(7-10,8-15)9-16-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3
InChIKeyIQCYJWODSRYQIK-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.09
Rot. Bonds4

About [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine

[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine (PubChem CID 120999976) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine
PubChem CID120999976
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine
SMILESCC1CC(CN)(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-10-6-13(7-10,8-15)9-16-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3
InChIKeyIQCYJWODSRYQIK-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine (CID 120999976) is [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine is CC1CC(CN)(COc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine?
The InChIKey is IQCYJWODSRYQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-6-13(7-10,8-15)9-16-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3.
What are the key properties of [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine?
[1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenoxy)methyl]-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 120999976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).