1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

C16H26INS — CID 65478586

IUPAC1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26INS/c1-4-9-18-16(12-19-11-13(2)3)10-14-5-7-15(17)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyUGJYKPMYIQBEJQ-UHFFFAOYSA-N
MW391.36 g/mol
LogP4.59
Rot. Bonds9

About 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (PubChem CID 65478586) has the molecular formula C16H26INS and a molecular weight of 391.36 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
PubChem CID65478586
Molecular FormulaC16H26INS
Molecular Weight391.36 g/mol
Exact Mass391.08
IUPAC Name1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26INS/c1-4-9-18-16(12-19-11-13(2)3)10-14-5-7-15(17)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyUGJYKPMYIQBEJQ-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
CID 65476823
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (CID 65478586) is 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is CCCNC(CSCC(C)C)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The InChIKey is UGJYKPMYIQBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26INS/c1-4-9-18-16(12-19-11-13(2)3)10-14-5-7-15(17)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine has a molecular weight of 391.36 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65478586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).