N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine

C18H28BrN — CID 43673221

IUPACN-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H28BrN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3
InChIKeyTVHPCFNYGTWXHO-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.70
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine

N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 43673221) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
PubChem CID43673221
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H28BrN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3
InChIKeyTVHPCFNYGTWXHO-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
N-[1-(3-bromophenyl)ethyl]-2-methylthian-3-amine
CID 79957820
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
CID 43673897
4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol
CID 81381501
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine (CID 43673221) is N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine is CC(NC1CCCCC1C(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is TVHPCFNYGTWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h7-9,12-13,16-17,20H,5-6,10-11H2,1-4H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine?
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.70, 3 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]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 43673221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).