1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine

C16H22IN — CID 65491102

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(I)cc1)CC1CC2CCC1C2
InChIInChI=1S/C16H22IN/c1-18(10-12-3-6-16(17)7-4-12)11-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-11H2,1H3
InChIKeyNXRIORJDHRXJOD-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine (PubChem CID 65491102) has the molecular formula C16H22IN and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
PubChem CID65491102
Molecular FormulaC16H22IN
Molecular Weight355.26 g/mol
Exact Mass355.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(I)cc1)CC1CC2CCC1C2
InChIInChI=1S/C16H22IN/c1-18(10-12-3-6-16(17)7-4-12)11-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-11H2,1H3
InChIKeyNXRIORJDHRXJOD-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine 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

4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 82981135
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
CID 63681510
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 106788229
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63881324
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873
[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 63681815
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63682795
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556865
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 63683981

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine (CID 65491102) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine is CN(Cc1ccc(I)cc1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine?
The InChIKey is NXRIORJDHRXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN/c1-18(10-12-3-6-16(17)7-4-12)11-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine has a molecular weight of 355.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 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-[(4-iodophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 65491102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).