1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C17H19ClINO — CID 103215411

IUPAC1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C17H19ClINO/c1-20-17(13-6-9-16(19)15(18)11-13)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3
InChIKeyXYUWCJUMXCNGHD-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.85
Rot. Bonds6

About 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 103215411) has the molecular formula C17H19ClINO and a molecular weight of 415.70 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID103215411
Molecular FormulaC17H19ClINO
Molecular Weight415.70 g/mol
Exact Mass415.02
IUPAC Name1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C17H19ClINO/c1-20-17(13-6-9-16(19)15(18)11-13)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3
InChIKeyXYUWCJUMXCNGHD-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-iodophenyl)-4-methoxy-N-methylbutan-1-amine
CID 103216498
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214776
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
1-(3-chloro-4-iodophenyl)-N-methylhex-5-yn-1-amine
CID 103216178
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 103217368
1-(3-chloro-4-iodophenyl)-N-methylbut-3-yn-1-amine
CID 103214490

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 103215411) is 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is XYUWCJUMXCNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClINO/c1-20-17(13-6-9-16(19)15(18)11-13)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 415.70 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103215411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).