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

C15H22FNO — CID 64762784

IUPACN-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC2CCC(C)CC2C)cc1F
InChIInChI=1S/C15H22FNO/c1-10-4-6-14(11(2)8-10)17-12-5-7-15(18-3)13(16)9-12/h5,7,9-11,14,17H,4,6,8H2,1-3H3
InChIKeyPYRQQRKLUCMNAF-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.07
Rot. Bonds3

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

N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline (PubChem CID 64762784) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
PubChem CID64762784
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC2CCC(C)CC2C)cc1F
InChIInChI=1S/C15H22FNO/c1-10-4-6-14(11(2)8-10)17-12-5-7-15(18-3)13(16)9-12/h5,7,9-11,14,17H,4,6,8H2,1-3H3
InChIKeyPYRQQRKLUCMNAF-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

3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
4-[(2,4-dimethylcyclohexyl)amino]-2-fluorobenzenecarbothioamide
CID 115368368
4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 64762403
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853624
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
3-(difluoromethoxy)-N-(2,5-dimethylcyclohexyl)-4-methoxyaniline
CID 64761247
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline (CID 64762784) is N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline is COc1ccc(NC2CCC(C)CC2C)cc1F.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
The InChIKey is PYRQQRKLUCMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-4-6-14(11(2)8-10)17-12-5-7-15(18-3)13(16)9-12/h5,7,9-11,14,17H,4,6,8H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline?
N-(2,4-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-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 64762784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).