1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine

C18H20ClN — CID 116506610

IUPAC1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeyIIPASBJAVQWJRW-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.99
Rot. Bonds4

About 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine (PubChem CID 116506610) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
PubChem CID116506610
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeyIIPASBJAVQWJRW-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine (CID 116506610) is 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is IIPASBJAVQWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-20-12-16-11-17(19)9-10-18(16)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3.
What are the key properties of 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 116506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).