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

C10H14IN — CID 65499360

IUPACN-[(4-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(I)cc1
InChIInChI=1S/C10H14IN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyGGIKGRGJSJYPAQ-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.79
Rot. Bonds3

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

N-[(4-iodophenyl)methyl]propan-2-amine (PubChem CID 65499360) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]propan-2-amine
PubChem CID65499360
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC NameN-[(4-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(I)cc1
InChIInChI=1S/C10H14IN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyGGIKGRGJSJYPAQ-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.79
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-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
CID 65479220
4-chloro-N-[(4-iodophenyl)methyl]butan-2-amine
CID 83186910
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
N-[[4-[(methylsulfanylamino)methyl]phenyl]methyl]propan-2-amine
CID 142585436
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
2-[(4-iodophenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65491309
N-[[4-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761605

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]propan-2-amine (CID 65499360) is N-[(4-iodophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]propan-2-amine?
The InChIKey is GGIKGRGJSJYPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-[(4-iodophenyl)methyl]propan-2-amine?
N-[(4-iodophenyl)methyl]propan-2-amine has a molecular weight of 275.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]propan-2-amine is sourced from PubChem (CID 65499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).