(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine

C17H26FN — CID 81391098

IUPAC(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCCCC2)cc1F
InChIInChI=1S/C17H26FN/c1-13-9-10-15(11-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyYYAPBWUHRXKAHG-CQSZACIVSA-N
MW263.40 g/mol
LogP4.58
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 81391098) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID81391098
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@H](C)C2CCCCCC2)cc1F
InChIInChI=1S/C17H26FN/c1-13-9-10-15(11-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyYYAPBWUHRXKAHG-CQSZACIVSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
methyl 4-[(1-cyclohexylethylamino)methyl]-2-fluorobenzoate
CID 104577551
methyl 4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoate
CID 106700239
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine (CID 81391098) is (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine is Cc1ccc(CN[C@H](C)C2CCCCCC2)cc1F.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is YYAPBWUHRXKAHG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26FN/c1-13-9-10-15(11-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81391098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).