2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine

C18H18F2N2 — CID 83975209

IUPAC2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CC(CN)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C18H18F2N2/c1-22-11-13(16-4-2-3-5-18(16)22)8-12(10-21)15-7-6-14(19)9-17(15)20/h2-7,9,11-12H,8,10,21H2,1H3
InChIKeyNIYUVQNSIYZRIC-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.74
Rot. Bonds4

About 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine

2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine (PubChem CID 83975209) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
PubChem CID83975209
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CC(CN)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C18H18F2N2/c1-22-11-13(16-4-2-3-5-18(16)22)8-12(10-21)15-7-6-14(19)9-17(15)20/h2-7,9,11-12H,8,10,21H2,1H3
InChIKeyNIYUVQNSIYZRIC-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83974313
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975787
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213
2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 177167757
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine (CID 83975209) is 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine is Cn1cc(CC(CN)c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is NIYUVQNSIYZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2/c1-22-11-13(16-4-2-3-5-18(16)22)8-12(10-21)15-7-6-14(19)9-17(15)20/h2-7,9,11-12H,8,10,21H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83975209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).