1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine

C19H30ClNO — CID 19823690

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H30ClNO/c1-15(2)22-14-5-7-18(21(3)4)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyZNVNKNZECCAPSH-UHFFFAOYSA-N
MW323.91 g/mol
LogP4.90
Rot. Bonds8

About 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine (PubChem CID 19823690) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
PubChem CID19823690
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H30ClNO/c1-15(2)22-14-5-7-18(21(3)4)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyZNVNKNZECCAPSH-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine (CID 19823690) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine is CC(C)OCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is ZNVNKNZECCAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO/c1-15(2)22-14-5-7-18(21(3)4)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,15,18H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 323.91 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 19823690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).