N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline

C16H22IN — CID 64594666

IUPACN-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22IN/c1-11-9-14(17)7-8-16(11)18-15-4-2-3-13(10-15)12-5-6-12/h7-9,12-13,15,18H,2-6,10H2,1H3
InChIKeyCTAPLKLIOVHTNO-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.98
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline

N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline (PubChem CID 64594666) has the molecular formula C16H22IN and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
PubChem CID64594666
Molecular FormulaC16H22IN
Molecular Weight355.26 g/mol
Exact Mass355.08
IUPAC NameN-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22IN/c1-11-9-14(17)7-8-16(11)18-15-4-2-3-13(10-15)12-5-6-12/h7-9,12-13,15,18H,2-6,10H2,1H3
InChIKeyCTAPLKLIOVHTNO-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.98
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-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
CID 103561331
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
N-(4-iodo-2-methylphenyl)thian-4-amine
CID 43717183
5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
CID 64594827
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline (CID 64594666) is N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline is Cc1cc(I)ccc1NC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline?
The InChIKey is CTAPLKLIOVHTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN/c1-11-9-14(17)7-8-16(11)18-15-4-2-3-13(10-15)12-5-6-12/h7-9,12-13,15,18H,2-6,10H2,1H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline?
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline has a molecular weight of 355.26 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline is sourced from PubChem (CID 64594666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).