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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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
CID 56621938
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;chloride;hydrate
CID 45114241
bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 11697183
N,N-dimethyl-4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174264194
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;2,3-dihydroxybutanedioic acid
CID 25174320
8-[1-(3,4-dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-ol
CID 19823631
(Z)-but-2-enedioic acid;(E)-but-2-enedioic acid;bis(1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine)
CID 68752103
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
CID 19823714
(Z)-but-2-enedioic acid;1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-ethylpentan-3-ol
CID 67945554
1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
CID 19823720
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
CID 19823745

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).