(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine

C14H21N — CID 118957385

IUPAC(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](C)C2CCC2)cc1
InChIInChI=1S/C14H21N/c1-11-6-8-13(9-7-11)10-15-12(2)14-4-3-5-14/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m0/s1
InChIKeyOODMGIYUGBLIFC-LBPRGKRZSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds4

About (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine

(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 118957385) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID118957385
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](C)C2CCC2)cc1
InChIInChI=1S/C14H21N/c1-11-6-8-13(9-7-11)10-15-12(2)14-4-3-5-14/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m0/s1
InChIKeyOODMGIYUGBLIFC-LBPRGKRZSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine (CID 118957385) is (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CN[C@@H](C)C2CCC2)cc1.
What is the InChIKey of (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is OODMGIYUGBLIFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N/c1-11-6-8-13(9-7-11)10-15-12(2)14-4-3-5-14/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine?
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 118957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).