4-(cycloheptylmethoxy)-3-iodoaniline

C14H20INO — CID 114248007

IUPAC4-(cycloheptylmethoxy)-3-iodoaniline
SMILESNc1ccc(OCC2CCCCCC2)c(I)c1
InChIInChI=1S/C14H20INO/c15-13-9-12(16)7-8-14(13)17-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2
InChIKeyNBWNZVFWYMLYOV-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.22
Rot. Bonds3

About 4-(cycloheptylmethoxy)-3-iodoaniline

4-(cycloheptylmethoxy)-3-iodoaniline (PubChem CID 114248007) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(cycloheptylmethoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(cycloheptylmethoxy)-3-iodoaniline
PubChem CID114248007
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name4-(cycloheptylmethoxy)-3-iodoaniline
SMILESNc1ccc(OCC2CCCCCC2)c(I)c1
InChIInChI=1S/C14H20INO/c15-13-9-12(16)7-8-14(13)17-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2
InChIKeyNBWNZVFWYMLYOV-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
4-(cyclohexylmethoxy)-3-(difluoromethyl)aniline
CID 63734479
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
CID 156612379
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-iodoaniline
CID 102739775
2-(cyclohexylmethoxy)quinolin-6-amine
CID 62382729
2-(cyclohexylmethoxy)-5-nitroaniline
CID 62508639

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethoxy)-3-iodoaniline?
The IUPAC name of 4-(cycloheptylmethoxy)-3-iodoaniline (CID 114248007) is 4-(cycloheptylmethoxy)-3-iodoaniline.
What is the SMILES notation for 4-(cycloheptylmethoxy)-3-iodoaniline?
The canonical SMILES for 4-(cycloheptylmethoxy)-3-iodoaniline is Nc1ccc(OCC2CCCCCC2)c(I)c1.
What is the InChIKey of 4-(cycloheptylmethoxy)-3-iodoaniline?
The InChIKey is NBWNZVFWYMLYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c15-13-9-12(16)7-8-14(13)17-10-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,16H2.
What are the key properties of 4-(cycloheptylmethoxy)-3-iodoaniline?
4-(cycloheptylmethoxy)-3-iodoaniline has a molecular weight of 345.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethoxy)-3-iodoaniline is sourced from PubChem (CID 114248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).