(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium

C17H22N+ — CID 7994193

IUPAC(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESCCc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h4-12,14,18H,3,13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyYMPFNUWAZAMABC-CQSZACIVSA-O
MW240.37 g/mol
LogP3.07
Rot. Bonds5

About (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium

(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium (PubChem CID 7994193) has the molecular formula C17H22N+ and a molecular weight of 240.37 g/mol. Its IUPAC name is (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium
PubChem CID7994193
Molecular FormulaC17H22N+
Molecular Weight240.37 g/mol
Exact Mass240.17
IUPAC Name(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESCCc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h4-12,14,18H,3,13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyYMPFNUWAZAMABC-CQSZACIVSA-O
XLogP3.07
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-[[[(1R)-1-phenylethyl]azaniumyl]methyl]benzoate
CID 7160959
(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7160969
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
cumene;ethylbenzene;methane
CID 159529846
(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 6948605
benzyl-[(2S)-butan-2-yl]azanium
CID 2462862
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7148326
[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium
CID 7479255
ethylcyclodecapentaene
CID 90861705
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium
CID 8637967

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium (CID 7994193) is (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium is CCc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is YMPFNUWAZAMABC-CQSZACIVSA-O. The full InChI is InChI=1S/C17H21N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h4-12,14,18H,3,13H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium?
(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 240.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 7994193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).