[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium

C22H25ClNO+ — CID 7392780

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
SMILESC[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3/p+1/t17-,20+/m1/s1
InChIKeyWMXGLVQQFHUUQE-XLIONFOSSA-O
MW354.90 g/mol
LogP4.97
Rot. Bonds8

About [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium (PubChem CID 7392780) has the molecular formula C22H25ClNO+ and a molecular weight of 354.90 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
PubChem CID7392780
Molecular FormulaC22H25ClNO+
Molecular Weight354.90 g/mol
Exact Mass354.16
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
SMILESC[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3/p+1/t17-,20+/m1/s1
InChIKeyWMXGLVQQFHUUQE-XLIONFOSSA-O
XLogP4.97
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
CID 7376292
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
CID 7632387
2-(1-chloro-2-phenylethyl)furan
CID 63016846
2-[(3R)-3-(furan-2-yl)-4-phenylbutyl]isoindole-1,3-dione
CID 907476
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
CID 44661013
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium (CID 7392780) is [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium is C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium?
The InChIKey is WMXGLVQQFHUUQE-XLIONFOSSA-O. The full InChI is InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3/p+1/t17-,20+/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium has a molecular weight of 354.90 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium is sourced from PubChem (CID 7392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).