N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine

C16H17ClIN — CID 115812106

IUPACN-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClIN/c1-2-10-19-16(12-6-8-15(18)9-7-12)13-4-3-5-14(17)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeyNISORJXEMRYQBN-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.03
Rot. Bonds5

About N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine (PubChem CID 115812106) has the molecular formula C16H17ClIN and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
PubChem CID115812106
Molecular FormulaC16H17ClIN
Molecular Weight385.68 g/mol
Exact Mass385.01
IUPAC NameN-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClIN/c1-2-10-19-16(12-6-8-15(18)9-7-12)13-4-3-5-14(17)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeyNISORJXEMRYQBN-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 55.03
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

N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine (CID 115812106) is N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine is CCCNC(c1ccc(I)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine?
The InChIKey is NISORJXEMRYQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClIN/c1-2-10-19-16(12-6-8-15(18)9-7-12)13-4-3-5-14(17)11-13/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115812106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).