(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine

C15H23N5O — CID 94157370

IUPAC(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
SMILESCCCn1nnnc1CN(C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H23N5O/c1-5-10-20-15(16-17-18-20)11-19(3)12(2)13-8-6-7-9-14(13)21-4/h6-9,12H,5,10-11H2,1-4H3/t12-/m0/s1
InChIKeyZHRKUFFCCPQUDN-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds7

About (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine (PubChem CID 94157370) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
PubChem CID94157370
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
SMILESCCCn1nnnc1CN(C)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H23N5O/c1-5-10-20-15(16-17-18-20)11-19(3)12(2)13-8-6-7-9-14(13)21-4/h6-9,12H,5,10-11H2,1-4H3/t12-/m0/s1
InChIKeyZHRKUFFCCPQUDN-LBPRGKRZSA-N
XLogP2.28
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol
CID 56785968
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
4-methoxy-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide
CID 31246771
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663
2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 60685100
2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 60693648
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
CID 62637803
3-methoxy-2-(1-propyltetrazol-5-yl)aniline
CID 81413821
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 94407176
(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51952845
3-methoxy-4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 79822172
(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94104056

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine (CID 94157370) is (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine is CCCn1nnnc1CN(C)[C@@H](C)c1ccccc1OC.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is ZHRKUFFCCPQUDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-10-20-15(16-17-18-20)11-19(3)12(2)13-8-6-7-9-14(13)21-4/h6-9,12H,5,10-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 94157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).