1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine

C17H27FN2O — CID 104791379

IUPAC1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CCCCCC2)c1F
InChIInChI=1S/C17H27FN2O/c1-20(17(13-19)10-5-3-4-6-11-17)12-14-8-7-9-15(21-2)16(14)18/h7-9H,3-6,10-13,19H2,1-2H3
InChIKeyZMEUOROKJHMJGM-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.32
Rot. Bonds5

About 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 104791379) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
PubChem CID104791379
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCOc1cccc(CN(C)C2(CN)CCCCCC2)c1F
InChIInChI=1S/C17H27FN2O/c1-20(17(13-19)10-5-3-4-6-11-17)12-14-8-7-9-15(21-2)16(14)18/h7-9H,3-6,10-13,19H2,1-2H3
InChIKeyZMEUOROKJHMJGM-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 104791155
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
1-[2-(2-fluoro-3-methoxyphenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242560
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
CID 81468498
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine (CID 104791379) is 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine is COc1cccc(CN(C)C2(CN)CCCCCC2)c1F.
What is the InChIKey of 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is ZMEUOROKJHMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-20(17(13-19)10-5-3-4-6-11-17)12-14-8-7-9-15(21-2)16(14)18/h7-9H,3-6,10-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 104791379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).