N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

C17H26BrN — CID 43426732

IUPACN-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)c2cccc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C17H26BrN/c1-12-8-16(11-17(3,4)10-12)19-13(2)14-6-5-7-15(18)9-14/h5-7,9,12-13,16,19H,8,10-11H2,1-4H3
InChIKeyRWPDMQCNZODCGR-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.31
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine

N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43426732) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43426732
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)c2cccc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C17H26BrN/c1-12-8-16(11-17(3,4)10-12)19-13(2)14-6-5-7-15(18)9-14/h5-7,9,12-13,16,19H,8,10-11H2,1-4H3
InChIKeyRWPDMQCNZODCGR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-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

N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43078690
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 81403333
N-[(1R)-1-(3-bromophenyl)ethyl]-1-oxothian-4-amine
CID 81381561
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine (CID 43426732) is N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NC(C)c2cccc(Br)c2)CC(C)(C)C1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is RWPDMQCNZODCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12-8-16(11-17(3,4)10-12)19-13(2)14-6-5-7-15(18)9-14/h5-7,9,12-13,16,19H,8,10-11H2,1-4H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.31, 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]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43426732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).