2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol

C17H27F2NO2 — CID 119165159

IUPAC2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H27F2NO2/c1-12(2)10-15(11-21)20-13(3)4-5-14-6-8-16(9-7-14)22-17(18)19/h6-9,12-13,15,17,20-21H,4-5,10-11H2,1-3H3
InChIKeyYFZFCIJPMJDGGB-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.61
Rot. Bonds10

About 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol

2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol (PubChem CID 119165159) has the molecular formula C17H27F2NO2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol
PubChem CID119165159
Molecular FormulaC17H27F2NO2
Molecular Weight315.40 g/mol
Exact Mass315.20
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H27F2NO2/c1-12(2)10-15(11-21)20-13(3)4-5-14-6-8-16(9-7-14)22-17(18)19/h6-9,12-13,15,17,20-21H,4-5,10-11H2,1-3H3
InChIKeyYFZFCIJPMJDGGB-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
2-[[(2S)-4-(4-methylphenyl)butan-2-yl]amino]propane-1,3-diol
CID 97323021
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]acetic acid
CID 43247467
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]hex-1-yn-3-amine
CID 106226696
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
4-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]butanoic acid
CID 60782859
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
CID 115728460

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol (CID 119165159) is 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol?
The InChIKey is YFZFCIJPMJDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO2/c1-12(2)10-15(11-21)20-13(3)4-5-14-6-8-16(9-7-14)22-17(18)19/h6-9,12-13,15,17,20-21H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol?
2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol has a molecular weight of 315.40 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 119165159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).