N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

C15H22IN — CID 65478000

IUPACN-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(I)cc2)CC1C
InChIInChI=1S/C15H22IN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyJNMCSUWDKQPHJP-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.21
Rot. Bonds3

About N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 65478000) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID65478000
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC NameN-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(I)cc2)CC1C
InChIInChI=1S/C15H22IN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyJNMCSUWDKQPHJP-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,4R)-3,4-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]cyclohexan-1-amine
CID 99624768
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66399217
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
3,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 64742849

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 65478000) is N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(I)cc2)CC1C.
What is the InChIKey of N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is JNMCSUWDKQPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-11-3-8-15(9-12(11)2)17-10-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 343.25 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65478000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).