N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine

C15H23FN2 — CID 170392911

IUPACN-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine
SMILESC[C@H](CC1=CNC2C=CC=CC12)NCC(C)(C)F
InChIInChI=1S/C15H23FN2/c1-11(18-10-15(2,3)16)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,13-14,17-18H,8,10H2,1-3H3/t11-,13?,14?/m1/s1
InChIKeyLDWBAVPSLYVJIX-LMWSTFAQSA-N
MW250.36 g/mol
LogP2.70
Rot. Bonds5

About N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine

N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine (PubChem CID 170392911) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine
PubChem CID170392911
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine
SMILESC[C@H](CC1=CNC2C=CC=CC12)NCC(C)(C)F
InChIInChI=1S/C15H23FN2/c1-11(18-10-15(2,3)16)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,13-14,17-18H,8,10H2,1-3H3/t11-,13?,14?/m1/s1
InChIKeyLDWBAVPSLYVJIX-LMWSTFAQSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine (CID 170392911) is N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine is C[C@H](CC1=CNC2C=CC=CC12)NCC(C)(C)F.
What is the InChIKey of N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine?
The InChIKey is LDWBAVPSLYVJIX-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(18-10-15(2,3)16)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,13-14,17-18H,8,10H2,1-3H3/t11-,13?,14?/m1/s1.
What are the key properties of N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine?
N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3a,7a-dihydro-1H-indol-3-yl)propan-2-yl]-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 170392911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).