2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine

C16H23FN2O — CID 130300765

IUPAC2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc2c(CC(C)NCC(C)(C)F)c[nH]c2c1
InChIInChI=1S/C16H23FN2O/c1-11(19-10-16(2,3)17)7-12-9-18-15-8-13(20-4)5-6-14(12)15/h5-6,8-9,11,18-19H,7,10H2,1-4H3
InChIKeyULOIPLNBNWATPE-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.45
Rot. Bonds6

About 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine

2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine (PubChem CID 130300765) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
PubChem CID130300765
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc2c(CC(C)NCC(C)(C)F)c[nH]c2c1
InChIInChI=1S/C16H23FN2O/c1-11(19-10-16(2,3)17)7-12-9-18-15-8-13(20-4)5-6-14(12)15/h5-6,8-9,11,18-19H,7,10H2,1-4H3
InChIKeyULOIPLNBNWATPE-UHFFFAOYSA-N
XLogP3.45
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
CID 174234185
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
CID 22309405
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
CID 166792346

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine (CID 130300765) is 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine is COc1ccc2c(CC(C)NCC(C)(C)F)c[nH]c2c1.
What is the InChIKey of 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine?
The InChIKey is ULOIPLNBNWATPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(19-10-16(2,3)17)7-12-9-18-15-8-13(20-4)5-6-14(12)15/h5-6,8-9,11,18-19H,7,10H2,1-4H3.
What are the key properties of 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine?
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine has a molecular weight of 278.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 130300765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).