2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol

C14H18F2N2O — CID 121410502

IUPAC2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
SMILESC[C@H](Cc1c[nH]c2ccccc12)NCC(F)(F)CO
InChIInChI=1S/C14H18F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,10,17-19H,6,8-9H2,1H3/t10-/m1/s1
InChIKeyNUMQSSSVVADVQJ-SNVBAGLBSA-N
MW268.31 g/mol
LogP2.32
Rot. Bonds6

About 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol

2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol (PubChem CID 121410502) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
PubChem CID121410502
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
SMILESC[C@H](Cc1c[nH]c2ccccc12)NCC(F)(F)CO
InChIInChI=1S/C14H18F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,10,17-19H,6,8-9H2,1H3/t10-/m1/s1
InChIKeyNUMQSSSVVADVQJ-SNVBAGLBSA-N
XLogP2.32
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol with MolForge

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Related Compounds

2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
CID 174234138
2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol
CID 167432678
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
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
CID 166792346
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
3-(2-fluoropropyl)-1H-indole
CID 142409179
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol (CID 121410502) is 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol is C[C@H](Cc1c[nH]c2ccccc12)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol?
The InChIKey is NUMQSSSVVADVQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(18-8-14(15,16)9-19)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,10,17-19H,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol?
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol has a molecular weight of 268.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol is sourced from PubChem (CID 121410502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).