2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine

C15H20F2N2 — CID 162616789

IUPAC2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
SMILESCCC(F)(F)CNC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20F2N2/c1-3-15(16,17)10-19-11(2)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9,11,18-19H,3,8,10H2,1-2H3
InChIKeyADORPSVXKHSJTA-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.73
Rot. Bonds6

About 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine

2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine (PubChem CID 162616789) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
PubChem CID162616789
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
SMILESCCC(F)(F)CNC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20F2N2/c1-3-15(16,17)10-19-11(2)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9,11,18-19H,3,8,10H2,1-2H3
InChIKeyADORPSVXKHSJTA-UHFFFAOYSA-N
XLogP3.73
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
CID 174234138
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
3-(2-fluoropropyl)-1H-indole
CID 142409179
CID 176716315
CID 176716315
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
CID 166792346
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine?
The IUPAC name of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine (CID 162616789) is 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine is CCC(F)(F)CNC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine?
The InChIKey is ADORPSVXKHSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-3-15(16,17)10-19-11(2)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9,11,18-19H,3,8,10H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine?
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 162616789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).