(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine

C18H20FN5O — CID 97322511

IUPAC(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc([C@@H](C)N[C@@H](C)c2nnnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H20FN5O/c1-12(16-10-9-15(25-3)11-17(16)19)20-13(2)18-21-22-23-24(18)14-7-5-4-6-8-14/h4-13,20H,1-3H3/t12-,13+/m1/s1
InChIKeyHLMKDSYPSWVOID-OLZOCXBDSA-N
MW341.39 g/mol
LogP3.22
Rot. Bonds6

About (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine

(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine (PubChem CID 97322511) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
PubChem CID97322511
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc([C@@H](C)N[C@@H](C)c2nnnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H20FN5O/c1-12(16-10-9-15(25-3)11-17(16)19)20-13(2)18-21-22-23-24(18)14-7-5-4-6-8-14/h4-13,20H,1-3H3/t12-,13+/m1/s1
InChIKeyHLMKDSYPSWVOID-OLZOCXBDSA-N
XLogP3.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 75428184
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
CID 154800577
(1S)-1-(1-benzothiophen-2-yl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 124617395
(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347856
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
CID 111477782

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine (CID 97322511) is (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine is COc1ccc([C@@H](C)N[C@@H](C)c2nnnn2-c2ccccc2)c(F)c1.
What is the InChIKey of (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine?
The InChIKey is HLMKDSYPSWVOID-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12(16-10-9-15(25-3)11-17(16)19)20-13(2)18-21-22-23-24(18)14-7-5-4-6-8-14/h4-13,20H,1-3H3/t12-,13+/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine?
(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine has a molecular weight of 341.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 97322511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).