1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine

C18H26IN — CID 115864331

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(I)cc1)CC1CC2CCC1C2
InChIInChI=1S/C18H26IN/c1-2-20-18(11-13-4-7-17(19)8-5-13)12-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16,18,20H,2-3,6,9-12H2,1H3
InChIKeyMBXOZFNRHLXMQX-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.64
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine (PubChem CID 115864331) has the molecular formula C18H26IN and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
PubChem CID115864331
Molecular FormulaC18H26IN
Molecular Weight383.32 g/mol
Exact Mass383.11
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(I)cc1)CC1CC2CCC1C2
InChIInChI=1S/C18H26IN/c1-2-20-18(11-13-4-7-17(19)8-5-13)12-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16,18,20H,2-3,6,9-12H2,1H3
InChIKeyMBXOZFNRHLXMQX-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-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-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
CID 79562830
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
CID 82787851
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
[1-(2-bicyclo[2.2.1]heptanyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212561
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine (CID 115864331) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine is CCNC(Cc1ccc(I)cc1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
The InChIKey is MBXOZFNRHLXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26IN/c1-2-20-18(11-13-4-7-17(19)8-5-13)12-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16,18,20H,2-3,6,9-12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine has a molecular weight of 383.32 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine is sourced from PubChem (CID 115864331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).