(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

C15H14ClF2N — CID 102615848

IUPAC(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C15H14ClF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-8-12(17)6-7-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyJCSIHARIHYLBDM-SNVBAGLBSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

About (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 102615848) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID102615848
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1F
InChIInChI=1S/C15H14ClF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-8-12(17)6-7-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyJCSIHARIHYLBDM-SNVBAGLBSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 102615848) is (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is C[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1F.
What is the InChIKey of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is JCSIHARIHYLBDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-8-12(17)6-7-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 102615848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).