1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine

C17H19ClIN — CID 43783490

IUPAC1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H19ClIN/c1-12(10-14-4-3-5-16(18)11-14)20-13(2)15-6-8-17(19)9-7-15/h3-9,11-13,20H,10H2,1-2H3
InChIKeyLDQAYIWLZZXXPJ-UHFFFAOYSA-N
MW399.70 g/mol
LogP5.23
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine

1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine (PubChem CID 43783490) has the molecular formula C17H19ClIN and a molecular weight of 399.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
PubChem CID43783490
Molecular FormulaC17H19ClIN
Molecular Weight399.70 g/mol
Exact Mass399.03
IUPAC Name1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H19ClIN/c1-12(10-14-4-3-5-16(18)11-14)20-13(2)15-6-8-17(19)9-7-15/h3-9,11-13,20H,10H2,1-2H3
InChIKeyLDQAYIWLZZXXPJ-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.70
LogP ≤ 55.23
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-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881795
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine (CID 43783490) is 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine is CC(Cc1cccc(Cl)c1)NC(C)c1ccc(I)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine?
The InChIKey is LDQAYIWLZZXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClIN/c1-12(10-14-4-3-5-16(18)11-14)20-13(2)15-6-8-17(19)9-7-15/h3-9,11-13,20H,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine?
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine has a molecular weight of 399.70 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43783490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).