N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

C17H27ClN2 — CID 80995922

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3
InChIKeyOESFWGQIRKAURF-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (PubChem CID 80995922) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
PubChem CID80995922
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3
InChIKeyOESFWGQIRKAURF-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (CID 80995922) is N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is CC(C)CNCC1CCC1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The InChIKey is OESFWGQIRKAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)10-19-11-15-6-9-17(15)20(3)12-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,19H,6,9-12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80995922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).