2-iodo-N-(4-propylcyclohexyl)aniline

C15H22IN — CID 28977854

IUPAC2-iodo-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2ccccc2I)CC1
InChIInChI=1S/C15H22IN/c1-2-5-12-8-10-13(11-9-12)17-15-7-4-3-6-14(15)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3
InChIKeySEEKYAZYSHKKIU-UHFFFAOYSA-N
MW343.25 g/mol
LogP5.06
Rot. Bonds4

About 2-iodo-N-(4-propylcyclohexyl)aniline

2-iodo-N-(4-propylcyclohexyl)aniline (PubChem CID 28977854) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-iodo-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name2-iodo-N-(4-propylcyclohexyl)aniline
PubChem CID28977854
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name2-iodo-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2ccccc2I)CC1
InChIInChI=1S/C15H22IN/c1-2-5-12-8-10-13(11-9-12)17-15-7-4-3-6-14(15)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3
InChIKeySEEKYAZYSHKKIU-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 55.06
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

N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
CID 65086579
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039
N-[2-(methoxymethyl)phenyl]-4-propylcycloheptan-1-amine
CID 65086704
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
4-methyl-N-(4-propylcyclohexyl)pyridin-3-amine
CID 63464553
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 2-iodo-N-(4-propylcyclohexyl)aniline (CID 28977854) is 2-iodo-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 2-iodo-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 2-iodo-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2ccccc2I)CC1.
What is the InChIKey of 2-iodo-N-(4-propylcyclohexyl)aniline?
The InChIKey is SEEKYAZYSHKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-2-5-12-8-10-13(11-9-12)17-15-7-4-3-6-14(15)16/h3-4,6-7,12-13,17H,2,5,8-11H2,1H3.
What are the key properties of 2-iodo-N-(4-propylcyclohexyl)aniline?
2-iodo-N-(4-propylcyclohexyl)aniline has a molecular weight of 343.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 28977854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).