N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine

C17H26BrN — CID 80674380

IUPACN-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
SMILESCCc1ccc(CN(CCBr)C2CCCCC2)cc1
InChIInChI=1S/C17H26BrN/c1-2-15-8-10-16(11-9-15)14-19(13-12-18)17-6-4-3-5-7-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyGHZIJWVHOVFKHH-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.78
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine

N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine (PubChem CID 80674380) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
PubChem CID80674380
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
SMILESCCc1ccc(CN(CCBr)C2CCCCC2)cc1
InChIInChI=1S/C17H26BrN/c1-2-15-8-10-16(11-9-15)14-19(13-12-18)17-6-4-3-5-7-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyGHZIJWVHOVFKHH-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
N-(2-bromoethyl)-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine (CID 80674380) is N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine is CCc1ccc(CN(CCBr)C2CCCCC2)cc1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine?
The InChIKey is GHZIJWVHOVFKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-15-8-10-16(11-9-15)14-19(13-12-18)17-6-4-3-5-7-17/h8-11,17H,2-7,12-14H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine?
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine has a molecular weight of 324.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 80674380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).