1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine

C21H21N3 — CID 175189411

IUPAC1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine
SMILESCc1nccc2c3cc(NCCc4ccccc4)ccc3n(C)c12
InChIInChI=1S/C21H21N3/c1-15-21-18(11-13-22-15)19-14-17(8-9-20(19)24(21)2)23-12-10-16-6-4-3-5-7-16/h3-9,11,13-14,23H,10,12H2,1-2H3
InChIKeyYGELQZSECITINW-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.69
Rot. Bonds4

About 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine

1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine (PubChem CID 175189411) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine.

Molecular Properties

Compound Name1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine
PubChem CID175189411
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine
SMILESCc1nccc2c3cc(NCCc4ccccc4)ccc3n(C)c12
InChIInChI=1S/C21H21N3/c1-15-21-18(11-13-22-15)19-14-17(8-9-20(19)24(21)2)23-12-10-16-6-4-3-5-7-16/h3-9,11,13-14,23H,10,12H2,1-2H3
InChIKeyYGELQZSECITINW-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
1-methyl-N-(2-phenylethyl)indol-5-amine
CID 82539257
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
ethane;N-(2-phenylethyl)aniline
CID 91194556
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 70111772
3-(2-phenylethylamino)phenol
CID 28722392

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine?
The IUPAC name of 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine (CID 175189411) is 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine.
What is the SMILES notation for 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine?
The canonical SMILES for 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine is Cc1nccc2c3cc(NCCc4ccccc4)ccc3n(C)c12.
What is the InChIKey of 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine?
The InChIKey is YGELQZSECITINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-15-21-18(11-13-22-15)19-14-17(8-9-20(19)24(21)2)23-12-10-16-6-4-3-5-7-16/h3-9,11,13-14,23H,10,12H2,1-2H3.
What are the key properties of 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine?
1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine has a molecular weight of 315.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine is sourced from PubChem (CID 175189411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).