2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol

C14H30F2N2O — CID 107486518

IUPAC2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
SMILESCCCC(C)(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C14H30F2N2O/c1-5-6-14(4,10-17-12(2)3)11-18(7-8-19)9-13(15)16/h12-13,17,19H,5-11H2,1-4H3
InChIKeyBVJPETLEZBIMSO-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.35
Rot. Bonds11

About 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol

2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol (PubChem CID 107486518) has the molecular formula C14H30F2N2O and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
PubChem CID107486518
Molecular FormulaC14H30F2N2O
Molecular Weight280.40 g/mol
Exact Mass280.23
IUPAC Name2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
SMILESCCCC(C)(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C14H30F2N2O/c1-5-6-14(4,10-17-12(2)3)11-18(7-8-19)9-13(15)16/h12-13,17,19H,5-11H2,1-4H3
InChIKeyBVJPETLEZBIMSO-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol (CID 107486518) is 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol is CCCC(C)(CNC(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
The InChIKey is BVJPETLEZBIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30F2N2O/c1-5-6-14(4,10-17-12(2)3)11-18(7-8-19)9-13(15)16/h12-13,17,19H,5-11H2,1-4H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol has a molecular weight of 280.40 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol is sourced from PubChem (CID 107486518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).