1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

C18H21N3 — CID 66414097

IUPAC1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C18H21N3/c1-13(2)15-7-5-14(6-8-15)10-19-11-16-12-21-18-17(16)4-3-9-20-18/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyLZTSEAFQWJWJBT-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (PubChem CID 66414097) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
PubChem CID66414097
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C18H21N3/c1-13(2)15-7-5-14(6-8-15)10-19-11-16-12-21-18-17(16)4-3-9-20-18/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyLZTSEAFQWJWJBT-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
CID 107151609
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887
1-(5-bromothiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66416040
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 66415076

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (CID 66414097) is 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is CC(C)c1ccc(CNCc2c[nH]c3ncccc23)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The InChIKey is LZTSEAFQWJWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)15-7-5-14(6-8-15)10-19-11-16-12-21-18-17(16)4-3-9-20-18/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 66414097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).