N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C19H22IN — CID 105052524

IUPACN-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)C1CC1c1ccccc1
InChIInChI=1S/C19H22IN/c1-2-11-21-19(15-9-6-10-16(20)12-15)18-13-17(18)14-7-4-3-5-8-14/h3-10,12,17-19,21H,2,11,13H2,1H3
InChIKeyXTUDMEYGCCLYJT-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.14
Rot. Bonds6

About N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105052524) has the molecular formula C19H22IN and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105052524
Molecular FormulaC19H22IN
Molecular Weight391.30 g/mol
Exact Mass391.08
IUPAC NameN-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)C1CC1c1ccccc1
InChIInChI=1S/C19H22IN/c1-2-11-21-19(15-9-6-10-16(20)12-15)18-13-17(18)14-7-4-3-5-8-14/h3-10,12,17-19,21H,2,11,13H2,1H3
InChIKeyXTUDMEYGCCLYJT-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.14
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

[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341457
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105052524) is N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is XTUDMEYGCCLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN/c1-2-11-21-19(15-9-6-10-16(20)12-15)18-13-17(18)14-7-4-3-5-8-14/h3-10,12,17-19,21H,2,11,13H2,1H3.
What are the key properties of N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 391.30 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105052524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).