N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

C17H26BrNO — CID 64761855

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)CCC2C)cc1Br
InChIInChI=1S/C17H26BrNO/c1-11-5-6-12(2)16(9-11)19-13(3)14-7-8-17(20-4)15(18)10-14/h7-8,10-13,16,19H,5-6,9H2,1-4H3
InChIKeyLRBMSLOBJHUNGV-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.93
Rot. Bonds4

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64761855) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64761855
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)CCC2C)cc1Br
InChIInChI=1S/C17H26BrNO/c1-11-5-6-12(2)16(9-11)19-13(3)14-7-8-17(20-4)15(18)10-14/h7-8,10-13,16,19H,5-6,9H2,1-4H3
InChIKeyLRBMSLOBJHUNGV-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65079966
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64762405
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62396524
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009038
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (CID 64761855) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is COc1ccc(C(C)NC2CC(C)CCC2C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is LRBMSLOBJHUNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-11-5-6-12(2)16(9-11)19-13(3)14-7-8-17(20-4)15(18)10-14/h7-8,10-13,16,19H,5-6,9H2,1-4H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64761855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).