(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine

C19H23N5 — CID 100701643

IUPAC(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESCc1ccc([C@H](Cc2ccccc2)NCc2nnn(C)n2)cc1C
InChIInChI=1S/C19H23N5/c1-14-9-10-17(11-15(14)2)18(12-16-7-5-4-6-8-16)20-13-19-21-23-24(3)22-19/h4-11,18,20H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyTUVFXZSNKPSRRP-SFHVURJKSA-N
MW321.43 g/mol
LogP2.90
Rot. Bonds6

About (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine

(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine (PubChem CID 100701643) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
PubChem CID100701643
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESCc1ccc([C@H](Cc2ccccc2)NCc2nnn(C)n2)cc1C
InChIInChI=1S/C19H23N5/c1-14-9-10-17(11-15(14)2)18(12-16-7-5-4-6-8-16)20-13-19-21-23-24(3)22-19/h4-11,18,20H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyTUVFXZSNKPSRRP-SFHVURJKSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 99840996

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine (CID 100701643) is (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine is Cc1ccc([C@H](Cc2ccccc2)NCc2nnn(C)n2)cc1C.
What is the InChIKey of (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The InChIKey is TUVFXZSNKPSRRP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-9-10-17(11-15(14)2)18(12-16-7-5-4-6-8-16)20-13-19-21-23-24(3)22-19/h4-11,18,20H,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
(1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine has a molecular weight of 321.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 100701643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).