1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine

C16H24FNO — CID 105372272

IUPAC1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
SMILESCc1ccc(F)cc1COCC1(N)CCCCCC1
InChIInChI=1S/C16H24FNO/c1-13-6-7-15(17)10-14(13)11-19-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3
InChIKeySQUPBCCWYKMQFJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.70
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine

1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine (PubChem CID 105372272) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
PubChem CID105372272
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
SMILESCc1ccc(F)cc1COCC1(N)CCCCCC1
InChIInChI=1S/C16H24FNO/c1-13-6-7-15(17)10-14(13)11-19-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3
InChIKeySQUPBCCWYKMQFJ-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64573531
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 105404480
4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
CID 114484503
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
CID 64573984
4-[(1-aminocycloheptyl)methoxymethyl]-3-fluorobenzonitrile
CID 64549154
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
2-[[1-(bromomethyl)cyclohexyl]methyl]-4-fluoro-1-methylbenzene
CID 105376025
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
1-[(2-methylquinolin-4-yl)methoxymethyl]cyclopentan-1-amine
CID 79235274
1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine (CID 105372272) is 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine is Cc1ccc(F)cc1COCC1(N)CCCCCC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is SQUPBCCWYKMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13-6-7-15(17)10-14(13)11-19-12-16(18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11-12,18H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine?
1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 105372272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).