(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine

C18H23N5O3 — CID 94086636

IUPAC(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine
SMILESCC[C@@](C)(NCc1ccco1)c1nnnn1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23N5O3/c1-5-18(2,19-12-14-7-6-10-26-14)17-20-21-22-23(17)13-8-9-15(24-3)16(11-13)25-4/h6-11,19H,5,12H2,1-4H3/t18-/m1/s1
InChIKeyHKVXHBSEERHWGX-GOSISDBHSA-N
MW357.41 g/mol
LogP2.69
Rot. Bonds8

About (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine

(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine (PubChem CID 94086636) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine
PubChem CID94086636
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine
SMILESCC[C@@](C)(NCc1ccco1)c1nnnn1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23N5O3/c1-5-18(2,19-12-14-7-6-10-26-14)17-20-21-22-23(17)13-8-9-15(24-3)16(11-13)25-4/h6-11,19H,5,12H2,1-4H3/t18-/m1/s1
InChIKeyHKVXHBSEERHWGX-GOSISDBHSA-N
XLogP2.69
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-benzyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-amine
CID 51697961
3,4-dimethoxy-N-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 51697954
[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 94086641
methyl 5-(furan-2-ylmethylamino)-5-(1-pentyltetrazol-5-yl)hexanoate
CID 70698526
1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine
CID 4713632
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780
1-(3-bromo-4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 10947253
N-[(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]-2-methylaniline
CID 51697957
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
ethyl 5-[[[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]amino]methyl]furan-2-carboxylate
CID 7291012
4-methoxy-N-[(2S)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]butan-2-yl]aniline
CID 94086700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine (CID 94086636) is (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine is CC[C@@](C)(NCc1ccco1)c1nnnn1-c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine?
The InChIKey is HKVXHBSEERHWGX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-5-18(2,19-12-14-7-6-10-26-14)17-20-21-22-23(17)13-8-9-15(24-3)16(11-13)25-4/h6-11,19H,5,12H2,1-4H3/t18-/m1/s1.
What are the key properties of (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine?
(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine has a molecular weight of 357.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 94086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).