N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline

C19H23N5O — CID 51697957

IUPACN-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline
SMILESCC[C@@](C)(Nc1ccccc1C)c1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N5O/c1-5-19(3,20-17-9-7-6-8-14(17)2)18-21-22-23-24(18)15-10-12-16(25-4)13-11-15/h6-13,20H,5H2,1-4H3/t19-/m1/s1
InChIKeyJCJQXWKBJABNSN-LJQANCHMSA-N
MW337.43 g/mol
LogP3.72
Rot. Bonds6

About N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline

N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline (PubChem CID 51697957) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline
PubChem CID51697957
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline
SMILESCC[C@@](C)(Nc1ccccc1C)c1nnnn1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N5O/c1-5-19(3,20-17-9-7-6-8-14(17)2)18-21-22-23-24(18)15-10-12-16(25-4)13-11-15/h6-13,20H,5H2,1-4H3/t19-/m1/s1
InChIKeyJCJQXWKBJABNSN-LJQANCHMSA-N
XLogP3.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-benzyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-amine
CID 51697961
2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 50812616
3,4-dimethoxy-N-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 51697954
N-[(2S)-2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]-2-methoxyaniline
CID 51697986
N-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 94086671
4-methoxy-N-[(2S)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]butan-2-yl]aniline
CID 94086700
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-4-ethoxyaniline
CID 3559515
N-[(2S)-2-[1-(4-methylphenyl)tetrazol-5-yl]butan-2-yl]-3-(trifluoromethyl)aniline
CID 94086714
4-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 4312416
4-bromo-N-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 98384187
4-[[(2S)-2-[1-(4-bromophenyl)tetrazol-5-yl]butan-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 41172715
N-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 94086664

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline?
The IUPAC name of N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline (CID 51697957) is N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline.
What is the SMILES notation for N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline?
The canonical SMILES for N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline is CC[C@@](C)(Nc1ccccc1C)c1nnnn1-c1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline?
The InChIKey is JCJQXWKBJABNSN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-19(3,20-17-9-7-6-8-14(17)2)18-21-22-23-24(18)15-10-12-16(25-4)13-11-15/h6-13,20H,5H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline?
N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline has a molecular weight of 337.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline is sourced from PubChem (CID 51697957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).