acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine

C19H22N2O2 — CID 75539416

IUPACacetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
SMILESCC(=O)O.Cn1cc(C(CN)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4)
InChIKeyPIBRTWLHPKTASH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.36
Rot. Bonds3

About acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine

acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine (PubChem CID 75539416) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Nameacetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
PubChem CID75539416
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nameacetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
SMILESCC(=O)O.Cn1cc(C(CN)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4)
InChIKeyPIBRTWLHPKTASH-UHFFFAOYSA-N
XLogP3.36
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
CID 155823409
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 116911472
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine?
The IUPAC name of acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine (CID 75539416) is acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine.
What is the SMILES notation for acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine?
The canonical SMILES for acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine is CC(=O)O.Cn1cc(C(CN)c2ccccc2)c2ccccc21.
What is the InChIKey of acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine?
The InChIKey is PIBRTWLHPKTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C2H4O2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18)13-7-3-2-4-8-13;1-2(3)4/h2-10,12,15H,11,18H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine?
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 75539416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).