N-cyclopentyl-4-iodo-3-methylaniline

C12H16IN — CID 166607280

IUPACN-cyclopentyl-4-iodo-3-methylaniline
SMILESCc1cc(NC2CCCC2)ccc1I
InChIInChI=1S/C12H16IN/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3
InChIKeyUSBXBCHYZRYINE-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.95
Rot. Bonds2

About N-cyclopentyl-4-iodo-3-methylaniline

N-cyclopentyl-4-iodo-3-methylaniline (PubChem CID 166607280) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is N-cyclopentyl-4-iodo-3-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-iodo-3-methylaniline
PubChem CID166607280
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC NameN-cyclopentyl-4-iodo-3-methylaniline
SMILESCc1cc(NC2CCCC2)ccc1I
InChIInChI=1S/C12H16IN/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3
InChIKeyUSBXBCHYZRYINE-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.95
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

4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
4-(cyclopentylamino)-2-methylbenzenecarbothioamide
CID 81278916
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-iodo-3-methylaniline?
The IUPAC name of N-cyclopentyl-4-iodo-3-methylaniline (CID 166607280) is N-cyclopentyl-4-iodo-3-methylaniline.
What is the SMILES notation for N-cyclopentyl-4-iodo-3-methylaniline?
The canonical SMILES for N-cyclopentyl-4-iodo-3-methylaniline is Cc1cc(NC2CCCC2)ccc1I.
What is the InChIKey of N-cyclopentyl-4-iodo-3-methylaniline?
The InChIKey is USBXBCHYZRYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-iodo-3-methylaniline?
N-cyclopentyl-4-iodo-3-methylaniline has a molecular weight of 301.17 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-iodo-3-methylaniline is sourced from PubChem (CID 166607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).