N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine

C14H22IN — CID 115846379

IUPACN-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyQENRQRXRIXLCNH-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine

N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine (PubChem CID 115846379) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
PubChem CID115846379
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC NameN-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyQENRQRXRIXLCNH-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.38
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

1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 63528155
N-ethyl-1-(3-iodophenyl)prop-2-yn-1-amine
CID 104995826
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine (CID 115846379) is N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine is CCNC(CC(C)CC)c1cccc(I)c1.
What is the InChIKey of N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine?
The InChIKey is QENRQRXRIXLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine?
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 115846379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).