N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine

C18H22INO — CID 65486312

IUPACN-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCOc1ccccc1CC(C)N(C)Cc1ccc(I)cc1
InChIInChI=1S/C18H22INO/c1-14(12-16-6-4-5-7-18(16)21-3)20(2)13-15-8-10-17(19)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyXBSCWNMNTDQYCU-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.36
Rot. Bonds6

About N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine

N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 65486312) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID65486312
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCOc1ccccc1CC(C)N(C)Cc1ccc(I)cc1
InChIInChI=1S/C18H22INO/c1-14(12-16-6-4-5-7-18(16)21-3)20(2)13-15-8-10-17(19)11-9-15/h4-11,14H,12-13H2,1-3H3
InChIKeyXBSCWNMNTDQYCU-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
CID 115984767
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
(2R)-1-(2-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 124505843
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
CID 115877332
2-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 66092748

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine (CID 65486312) is N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine is COc1ccccc1CC(C)N(C)Cc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is XBSCWNMNTDQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-14(12-16-6-4-5-7-18(16)21-3)20(2)13-15-8-10-17(19)11-9-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 395.28 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 65486312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).