N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline

C14H20IN — CID 64502521

IUPACN-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(I)c2)C1
InChIInChI=1S/C14H20IN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3
InChIKeyWLOZKBWTMJZWCN-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.59
Rot. Bonds3

About N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline

N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline (PubChem CID 64502521) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
PubChem CID64502521
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(I)c2)C1
InChIInChI=1S/C14H20IN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3
InChIKeyWLOZKBWTMJZWCN-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.59
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

3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
N-(3-ethylcyclopentyl)-3-methyl-4-nitroaniline
CID 64501556
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
N-(3-iodo-4-methylphenyl)thiolan-3-amine
CID 43716162
3-iodo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43716332
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
1-cyclopropyl-3-(3-iodo-4-methylphenyl)thiourea
CID 8679311
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline?
The IUPAC name of N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline (CID 64502521) is N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline is CCC1CCC(Nc2ccc(C)c(I)c2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline?
The InChIKey is WLOZKBWTMJZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3.
What are the key properties of N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline?
N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline has a molecular weight of 329.23 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline is sourced from PubChem (CID 64502521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).