(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine

C18H21N3 — CID 81349025

IUPAC(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-13-8-10-15(11-9-13)14(2)19-12-17-16-6-4-5-7-18(16)21(3)20-17/h4-11,14,19H,12H2,1-3H3/t14-/m0/s1
InChIKeyYTSXMLNMZIDOCB-AWEZNQCLSA-N
MW279.39 g/mol
LogP3.73
Rot. Bonds4

About (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81349025) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81349025
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-13-8-10-15(11-9-13)14(2)19-12-17-16-6-4-5-7-18(16)21(3)20-17/h4-11,14,19H,12H2,1-3H3/t14-/m0/s1
InChIKeyYTSXMLNMZIDOCB-AWEZNQCLSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 63001054
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 166212848
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63001727
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 81349025) is (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1.
What is the InChIKey of (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is YTSXMLNMZIDOCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-8-10-15(11-9-13)14(2)19-12-17-16-6-4-5-7-18(16)21(3)20-17/h4-11,14,19H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81349025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).