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

C10H13ClIN — CID 130669925

IUPACN-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-7(2)13-6-8-3-4-9(12)5-10(8)11/h3-5,7,13H,6H2,1-2H3
InChIKeyQLHBZRPQLXXTFD-UHFFFAOYSA-N
MW309.58 g/mol
LogP3.44
Rot. Bonds3

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

N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine (PubChem CID 130669925) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
PubChem CID130669925
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC NameN-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-7(2)13-6-8-3-4-9(12)5-10(8)11/h3-5,7,13H,6H2,1-2H3
InChIKeyQLHBZRPQLXXTFD-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 53.44
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

2-chloro-1-ethyl-4-iodobenzene
CID 71044998
N-[[2-chloro-4-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114065011
N-[(2-ethoxy-5-iodophenyl)methyl]propan-2-amine
CID 2988040
3-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091328
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
CID 169386761
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
1-(2-chloro-4-iodophenyl)butan-2-one
CID 147711432
3-chloro-N-ethyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091216
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
(2S)-N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-2-amine
CID 97357838

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine (CID 130669925) is N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(I)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine?
The InChIKey is QLHBZRPQLXXTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-7(2)13-6-8-3-4-9(12)5-10(8)11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine?
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine is sourced from PubChem (CID 130669925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).