N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine

C16H24BrN — CID 66473412

IUPACN-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C16H24BrN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3
InChIKeyGPRTXKVAFPUJNW-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine

N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 66473412) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID66473412
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C16H24BrN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3
InChIKeyGPRTXKVAFPUJNW-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(4-bromo-3-methylphenyl)methyl]thian-3-amine
CID 115676145
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine (CID 66473412) is N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCc2ccc(Br)c(C)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is GPRTXKVAFPUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine?
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 66473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).