1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine

C15H22N2 — CID 2794244

IUPAC1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine
SMILESCc1c(C)c(C)c2c(CC(C)N)c[nH]c2c1C
InChIInChI=1S/C15H22N2/c1-8(16)6-13-7-17-15-12(5)10(3)9(2)11(4)14(13)15/h7-8,17H,6,16H2,1-5H3
InChIKeyXGOZEJVHAMVJOA-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.29
Rot. Bonds2

About 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine

1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine (PubChem CID 2794244) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine
PubChem CID2794244
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine
SMILESCc1c(C)c(C)c2c(CC(C)N)c[nH]c2c1C
InChIInChI=1S/C15H22N2/c1-8(16)6-13-7-17-15-12(5)10(3)9(2)11(4)14(13)15/h7-8,17H,6,16H2,1-5H3
InChIKeyXGOZEJVHAMVJOA-UHFFFAOYSA-N
XLogP3.29
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
4-(4,7-dimethyl-1H-indol-3-yl)butan-2-amine
CID 82493191
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-amine
CID 12503614
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671
2-amino-3-(5,6-difluoro-4-methoxy-7-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 178095903
5-(4,5,7-trimethyl-1H-indol-3-yl)pentan-2-ol
CID 123263101
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine (CID 2794244) is 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine is Cc1c(C)c(C)c2c(CC(C)N)c[nH]c2c1C.
What is the InChIKey of 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is XGOZEJVHAMVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-8(16)6-13-7-17-15-12(5)10(3)9(2)11(4)14(13)15/h7-8,17H,6,16H2,1-5H3.
What are the key properties of 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine?
1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetramethyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 2794244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).