N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine

C16H17ClIN — CID 115800974

IUPACN-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1I
InChIInChI=1S/C16H17ClIN/c1-2-11-19-16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyDCVHAARSFLRULO-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.03
Rot. Bonds5

About N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine

N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine (PubChem CID 115800974) has the molecular formula C16H17ClIN and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
PubChem CID115800974
Molecular FormulaC16H17ClIN
Molecular Weight385.68 g/mol
Exact Mass385.01
IUPAC NameN-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1I
InChIInChI=1S/C16H17ClIN/c1-2-11-19-16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyDCVHAARSFLRULO-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-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 106762425
N-[(2,6-difluoro-3-methylphenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105027016

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine (CID 115800974) is N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccccc1I.
What is the InChIKey of N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine?
The InChIKey is DCVHAARSFLRULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClIN/c1-2-11-19-16(12-7-3-5-9-14(12)17)13-8-4-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(2-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-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115800974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).