N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H28BrN — CID 43426724

IUPACN-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)c2cccc(Br)c2)C1
InChIInChI=1S/C18H28BrN/c1-12(2)17-9-8-13(3)10-18(17)20-14(4)15-6-5-7-16(19)11-15/h5-7,11-14,17-18,20H,8-10H2,1-4H3
InChIKeyYBJMEMZCLMVYBH-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.56
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43426724) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43426724
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)c2cccc(Br)c2)C1
InChIInChI=1S/C18H28BrN/c1-12(2)17-9-8-13(3)10-18(17)20-14(4)15-6-5-7-16(19)11-15/h5-7,11-14,17-18,20H,8-10H2,1-4H3
InChIKeyYBJMEMZCLMVYBH-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81364343
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-[(1S)-1-(4-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81353913
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710182
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107705663
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756
N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43784375
5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 43433961

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43426724) is N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NC(C)c2cccc(Br)c2)C1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is YBJMEMZCLMVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-12(2)17-9-8-13(3)10-18(17)20-14(4)15-6-5-7-16(19)11-15/h5-7,11-14,17-18,20H,8-10H2,1-4H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43426724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).