2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C16H23IN2 — CID 79546515

IUPAC2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESIc1ccccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H23IN2/c17-13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2
InChIKeyAVTOITOMNRSMAS-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.01
Rot. Bonds3

About 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79546515) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79546515
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESIc1ccccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C16H23IN2/c17-13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2
InChIKeyAVTOITOMNRSMAS-UHFFFAOYSA-N
XLogP4.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
CID 79539513
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
[2-[(2-piperidin-2-ylcyclopentyl)amino]phenyl]methanol
CID 79545669
2-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzoic acid
CID 79544346
2-propyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543974
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
N-(2-pyrrolidin-2-ylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79535830
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-4-amine
CID 79536683
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79546515) is 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is Ic1ccccc1NC1CCCCC1C1CCCN1.
What is the InChIKey of 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is AVTOITOMNRSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c17-13-7-2-4-9-16(13)19-15-8-3-1-6-12(15)14-10-5-11-18-14/h2,4,7,9,12,14-15,18-19H,1,3,5-6,8,10-11H2.
What are the key properties of 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 370.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79546515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).