N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine

C18H27Cl2N — CID 65017042

IUPACN-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2Cl)CC(C(C)C)C1
InChIInChI=1S/C18H27Cl2N/c1-12(2)10-21-11-18(8-14(9-18)13(3)4)16-6-5-15(19)7-17(16)20/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyFYWUKTUOWPFROU-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.54
Rot. Bonds6

About N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65017042) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65017042
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2Cl)CC(C(C)C)C1
InChIInChI=1S/C18H27Cl2N/c1-12(2)10-21-11-18(8-14(9-18)13(3)4)16-6-5-15(19)7-17(16)20/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyFYWUKTUOWPFROU-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 65017042) is N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccc(Cl)cc2Cl)CC(C(C)C)C1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FYWUKTUOWPFROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-12(2)10-21-11-18(8-14(9-18)13(3)4)16-6-5-15(19)7-17(16)20/h5-7,12-14,21H,8-11H2,1-4H3.
What are the key properties of N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65017042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).