(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine

C16H23F2N — CID 81390721

IUPAC(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H23F2N/c1-12(14-6-4-2-3-5-7-14)19-11-13-8-9-15(17)16(18)10-13/h8-10,12,14,19H,2-7,11H2,1H3/t12-/m0/s1
InChIKeyGGCDFXHYZVGZRB-LBPRGKRZSA-N
MW267.36 g/mol
LogP4.41
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 81390721) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
PubChem CID81390721
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H23F2N/c1-12(14-6-4-2-3-5-7-14)19-11-13-8-9-15(17)16(18)10-13/h8-10,12,14,19H,2-7,11H2,1H3/t12-/m0/s1
InChIKeyGGCDFXHYZVGZRB-LBPRGKRZSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
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
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine (CID 81390721) is (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine is C[C@H](NCc1ccc(F)c(F)c1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is GGCDFXHYZVGZRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12(14-6-4-2-3-5-7-14)19-11-13-8-9-15(17)16(18)10-13/h8-10,12,14,19H,2-7,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81390721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).