(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C17H19N3 — CID 81356963

IUPAC(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C17H19N3/c1-12-5-7-14(8-6-12)13(2)19-10-15-11-20-17-16(15)4-3-9-18-17/h3-9,11,13,19H,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBAIUPXTYKWAGKJ-ZDUSSCGKSA-N
MW265.36 g/mol
LogP3.72
Rot. Bonds4

About (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 81356963) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID81356963
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C17H19N3/c1-12-5-7-14(8-6-12)13(2)19-10-15-11-20-17-16(15)4-3-9-18-17/h3-9,11,13,19H,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBAIUPXTYKWAGKJ-ZDUSSCGKSA-N
XLogP3.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81364743
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 66416209
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 81356963) is (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is Cc1ccc([C@H](C)NCc2c[nH]c3ncccc23)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is BAIUPXTYKWAGKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-5-7-14(8-6-12)13(2)19-10-15-11-20-17-16(15)4-3-9-18-17/h3-9,11,13,19H,10H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 81356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).