N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline

C15H22FNO — CID 43380623

IUPACN-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC2C(C)CCCC2C)cc1F
InChIInChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-12-7-8-14(18-3)13(16)9-12/h7-11,15,17H,4-6H2,1-3H3
InChIKeyKNCMWBNIQMQCBN-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.07
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline

N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline (PubChem CID 43380623) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
PubChem CID43380623
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC2C(C)CCCC2C)cc1F
InChIInChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-12-7-8-14(18-3)13(16)9-12/h7-11,15,17H,4-6H2,1-3H3
InChIKeyKNCMWBNIQMQCBN-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
CID 64792592
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
5-[(2,6-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 63476932
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
CID 114262716
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853624
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline (CID 43380623) is N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline is COc1ccc(NC2C(C)CCCC2C)cc1F.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The InChIKey is KNCMWBNIQMQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-5-4-6-11(2)15(10)17-12-7-8-14(18-3)13(16)9-12/h7-11,15,17H,4-6H2,1-3H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline has a molecular weight of 251.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 43380623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).