N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine

C16H23F2NO2 — CID 82726102

IUPACN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)NC1CCOC1C
InChIInChI=1S/C16H23F2NO2/c1-11(19-15-9-10-20-12(15)2)3-4-13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,3-4,9-10H2,1-2H3
InChIKeyVEWITYOREGYHST-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.38
Rot. Bonds7

About N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine

N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine (PubChem CID 82726102) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine
PubChem CID82726102
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)NC1CCOC1C
InChIInChI=1S/C16H23F2NO2/c1-11(19-15-9-10-20-12(15)2)3-4-13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,3-4,9-10H2,1-2H3
InChIKeyVEWITYOREGYHST-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
CID 115728460
3-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]azepan-2-one
CID 119165018
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711474
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
(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
CID 97229301
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methylbut-3-yn-2-amine
CID 63999943
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
CID 65244673

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine (CID 82726102) is N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine is CC(CCc1ccc(OC(F)F)cc1)NC1CCOC1C.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine?
The InChIKey is VEWITYOREGYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11(19-15-9-10-20-12(15)2)3-4-13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine?
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine has a molecular weight of 299.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82726102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).