(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

C21H18ClF2N — CID 8000472

IUPAC(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClF2N/c1-14(15-2-8-18(22)9-3-15)25-21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-14,21,25H,1H3/t14-/m0/s1
InChIKeyYMQUPXVULWREPF-AWEZNQCLSA-N
MW357.83 g/mol
LogP6.06
Rot. Bonds5

About (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 8000472) has the molecular formula C21H18ClF2N and a molecular weight of 357.83 g/mol. Its IUPAC name is (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID8000472
Molecular FormulaC21H18ClF2N
Molecular Weight357.83 g/mol
Exact Mass357.11
IUPAC Name(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClF2N/c1-14(15-2-8-18(22)9-3-15)25-21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-14,21,25H,1H3/t14-/m0/s1
InChIKeyYMQUPXVULWREPF-AWEZNQCLSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.83
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
[(4-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192695
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (CID 8000472) is (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is YMQUPXVULWREPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18ClF2N/c1-14(15-2-8-18(22)9-3-15)25-21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-14,21,25H,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 357.83 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 8000472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).