3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline

C14H20FNO — CID 43380637

IUPAC3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
SMILESCOc1ccc(NC2CCC(C)CC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)16-12-7-8-14(17-2)13(15)9-12/h7-11,16H,3-6H2,1-2H3
InChIKeyMYVQXXNWDYFBER-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.82
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline

3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline (PubChem CID 43380637) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
PubChem CID43380637
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
SMILESCOc1ccc(NC2CCC(C)CC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)16-12-7-8-14(17-2)13(15)9-12/h7-11,16H,3-6H2,1-2H3
InChIKeyMYVQXXNWDYFBER-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.82
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

N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
2-fluoro-4-[(4-methylcyclohexyl)amino]benzenecarbothioamide
CID 113295793
N-(3-fluoro-4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853624
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline (CID 43380637) is 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline is COc1ccc(NC2CCC(C)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline?
The InChIKey is MYVQXXNWDYFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)16-12-7-8-14(17-2)13(15)9-12/h7-11,16H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline?
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline has a molecular weight of 237.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 43380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).