1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine

C15H24IN — CID 65476823

IUPAC1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-4-10-17-15(5-2)12(3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyLHXGVZYTNHXAIB-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.25
Rot. Bonds7

About 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine

1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine (PubChem CID 65476823) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
PubChem CID65476823
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC Name1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-4-10-17-15(5-2)12(3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyLHXGVZYTNHXAIB-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.25
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-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3-chloro-2-methylpentyl)-4-iodobenzene
CID 65477351
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine (CID 65476823) is 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine is CCCNC(CC)C(C)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine?
The InChIKey is LHXGVZYTNHXAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-4-10-17-15(5-2)12(3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine?
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine has a molecular weight of 345.27 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 65476823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).