4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine

C15H23FN2O — CID 115213425

IUPAC4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccc(F)cc1CNCC1CCC(N)CC1
InChIInChI=1S/C15H23FN2O/c1-19-15-7-4-13(16)8-12(15)10-18-9-11-2-5-14(17)6-3-11/h4,7-8,11,14,18H,2-3,5-6,9-10,17H2,1H3
InChIKeyZVHUTMXXQZCTDA-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.44
Rot. Bonds5

About 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine

4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 115213425) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID115213425
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccc(F)cc1CNCC1CCC(N)CC1
InChIInChI=1S/C15H23FN2O/c1-19-15-7-4-13(16)8-12(15)10-18-9-11-2-5-14(17)6-3-11/h4,7-8,11,14,18H,2-3,5-6,9-10,17H2,1H3
InChIKeyZVHUTMXXQZCTDA-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214125
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine (CID 115213425) is 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine is COc1ccc(F)cc1CNCC1CCC(N)CC1.
What is the InChIKey of 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is ZVHUTMXXQZCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-19-15-7-4-13(16)8-12(15)10-18-9-11-2-5-14(17)6-3-11/h4,7-8,11,14,18H,2-3,5-6,9-10,17H2,1H3.
What are the key properties of 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).