N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine

C17H20IN — CID 43495083

IUPACN-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1ccccc1I
InChIInChI=1S/C17H20IN/c1-3-12-19-17(14-10-8-13(2)9-11-14)15-6-4-5-7-16(15)18/h4-11,17,19H,3,12H2,1-2H3
InChIKeyNTNDTWPPELVNOS-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.69
Rot. Bonds5

About N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 43495083) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID43495083
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC NameN-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1ccccc1I
InChIInChI=1S/C17H20IN/c1-3-12-19-17(14-10-8-13(2)9-11-14)15-6-4-5-7-16(15)18/h4-11,17,19H,3,12H2,1-2H3
InChIKeyNTNDTWPPELVNOS-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.69
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-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64715077
N-[(2,6-difluoro-3-methylphenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105027016
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine (CID 43495083) is N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is NTNDTWPPELVNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-3-12-19-17(14-10-8-13(2)9-11-14)15-6-4-5-7-16(15)18/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 365.26 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).