N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine

C15H22IN — CID 43775452

IUPACN-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-11-4-3-5-15(10-11)17-12(2)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyYYXUXRMNGVZJIZ-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine

N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 43775452) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID43775452
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC NameN-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-11-4-3-5-15(10-11)17-12(2)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3
InChIKeyYYXUXRMNGVZJIZ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-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-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43784375
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine (CID 43775452) is N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NC(C)c2ccc(I)cc2)C1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is YYXUXRMNGVZJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-11-4-3-5-15(10-11)17-12(2)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,3-5,10H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine?
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 343.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43775452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).