1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine

C19H29Cl2N — CID 53322452

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3
InChIKeyPKNHHRUELROULR-UHFFFAOYSA-N
MW342.35 g/mol
LogP6.17
Rot. Bonds5

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 53322452) has the molecular formula C19H29Cl2N and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine
PubChem CID53322452
Molecular FormulaC19H29Cl2N
Molecular Weight342.35 g/mol
Exact Mass341.17
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3
InChIKeyPKNHHRUELROULR-UHFFFAOYSA-N
XLogP6.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine (CID 53322452) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine is CC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is PKNHHRUELROULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N/c1-14(2)12-18(22(3)4)19(10-6-5-7-11-19)15-8-9-16(20)17(21)13-15/h8-9,13-14,18H,5-7,10-12H2,1-4H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 342.35 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 53322452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).