N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline

C16H25IN2 — CID 43716961

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(I)cc2C)C1
InChIInChI=1S/C16H25IN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-15(17)10-12(16)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyMIRBVKREZFHSOD-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.13
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline

N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline (PubChem CID 43716961) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
PubChem CID43716961
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(I)cc2C)C1
InChIInChI=1S/C16H25IN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-15(17)10-12(16)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyMIRBVKREZFHSOD-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.13
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

4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
4-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 43746560
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline (CID 43716961) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline is CCN1CCCC(C(C)Nc2ccc(I)cc2C)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline?
The InChIKey is MIRBVKREZFHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-15(17)10-12(16)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline has a molecular weight of 372.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 43716961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).