N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine

C15H22FNO — CID 83310423

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-14(18-2)9-15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyDYSHWXIQZQTQGB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 83310423) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID83310423
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-14(18-2)9-15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyDYSHWXIQZQTQGB-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (CID 83310423) is N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is COc1ccc(CNC2CCC(C)CC2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is DYSHWXIQZQTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-3-6-13(7-4-11)17-10-12-5-8-14(18-2)9-15(12)16/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 83310423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).