1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine

C12H17ClIN — CID 103214498

IUPAC1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H17ClIN/c1-3-7-15-12(4-2)9-5-6-11(14)10(13)8-9/h5-6,8,12,15H,3-4,7H2,1-2H3
InChIKeyQIRZGLRSIGFIPY-UHFFFAOYSA-N
MW337.63 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine

1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine (PubChem CID 103214498) has the molecular formula C12H17ClIN and a molecular weight of 337.63 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
PubChem CID103214498
Molecular FormulaC12H17ClIN
Molecular Weight337.63 g/mol
Exact Mass337.01
IUPAC Name1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H17ClIN/c1-3-7-15-12(4-2)9-5-6-11(14)10(13)8-9/h5-6,8,12,15H,3-4,7H2,1-2H3
InChIKeyQIRZGLRSIGFIPY-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 54.40
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

1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
CID 103214904
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(3-chloro-4-iodophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 103214795
1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103215285
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040
N-[(3-chloro-4-iodophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 103220153
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
N-[(3-chloro-4-iodophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 103220292
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine (CID 103214498) is 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine?
The InChIKey is QIRZGLRSIGFIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN/c1-3-7-15-12(4-2)9-5-6-11(14)10(13)8-9/h5-6,8,12,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine?
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine has a molecular weight of 337.63 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 103214498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).