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

C19H30IN — CID 65479388

IUPACN-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCC(CC)CC1
InChIInChI=1S/C19H30IN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeySWPABNVMENZBFF-UHFFFAOYSA-N
MW399.36 g/mol
LogP5.42
Rot. Bonds7

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

N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine (PubChem CID 65479388) has the molecular formula C19H30IN and a molecular weight of 399.36 g/mol. Its IUPAC name is N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
PubChem CID65479388
Molecular FormulaC19H30IN
Molecular Weight399.36 g/mol
Exact Mass399.14
IUPAC NameN-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCC(CC)CC1
InChIInChI=1S/C19H30IN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeySWPABNVMENZBFF-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.36
LogP ≤ 55.42
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-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-4-ylethanamine
CID 64774213
N-[1-(1,1-dioxothian-2-yl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864313
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 65391253

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine (CID 65479388) is N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(I)cc1)C1CCC(CC)CC1.
What is the InChIKey of N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine?
The InChIKey is SWPABNVMENZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30IN/c1-3-13-21-19(14-16-7-11-18(20)12-8-16)17-9-5-15(4-2)6-10-17/h7-8,11-12,15,17,19,21H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine?
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine has a molecular weight of 399.36 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65479388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).