N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C15H22ClN — CID 55091372

IUPACN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-5-9-15)13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyNIRMBNCCZPBEED-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds5

About N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 55091372) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID55091372
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-5-9-15)13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyNIRMBNCCZPBEED-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 55091372) is N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccccc2Cl)CCC1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NIRMBNCCZPBEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-5-9-15)13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3.
What are the key properties of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).