N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine

C14H22BrNO — CID 113437556

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccc(Br)o2)C(C)C1
InChIInChI=1S/C14H22BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyCCHPYIGFWLQQOC-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 113437556) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID113437556
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2ccc(Br)o2)C(C)C1
InChIInChI=1S/C14H22BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyCCHPYIGFWLQQOC-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 113437556) is N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC(C)c2ccc(Br)o2)C(C)C1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is CCHPYIGFWLQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-9-4-5-12(10(2)8-9)16-11(3)13-6-7-14(15)17-13/h6-7,9-12,16H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113437556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).