(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C16H21N3O — CID 38060056

IUPAC(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccccc1CN[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C16H21N3O/c1-19-15-8-5-7-14(13(15)11-18-19)17-10-12-6-3-4-9-16(12)20-2/h3-4,6,9,11,14,17H,5,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyCWBFCYNKLJVUME-CQSZACIVSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds4

About (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 38060056) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID38060056
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccccc1CN[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C16H21N3O/c1-19-15-8-5-7-14(13(15)11-18-19)17-10-12-6-3-4-9-16(12)20-2/h3-4,6,9,11,14,17H,5,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyCWBFCYNKLJVUME-CQSZACIVSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727366
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
2-bromo-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 61391448
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
2-[4-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 136579125
(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060530

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 38060056) is (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is COc1ccccc1CN[C@@H]1CCCc2c1cnn2C.
What is the InChIKey of (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is CWBFCYNKLJVUME-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-15-8-5-7-14(13(15)11-18-19)17-10-12-6-3-4-9-16(12)20-2/h3-4,6,9,11,14,17H,5,7-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 38060056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).