N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine

C14H22F2N2O — CID 62682370

IUPACN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)CCN
InChIInChI=1S/C14H22F2N2O/c1-11(18(2)10-9-17)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,11,14H,3-4,9-10,17H2,1-2H3
InChIKeyAWLLLQKMQUOOCJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.50
Rot. Bonds8

About N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine

N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 62682370) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine
PubChem CID62682370
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine
SMILESCC(CCc1ccc(OC(F)F)cc1)N(C)CCN
InChIInChI=1S/C14H22F2N2O/c1-11(18(2)10-9-17)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,11,14H,3-4,9-10,17H2,1-2H3
InChIKeyAWLLLQKMQUOOCJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
CID 115318689
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N-methylazetidin-3-amine
CID 66185897
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
CID 65244673
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine (CID 62682370) is N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine is CC(CCc1ccc(OC(F)F)cc1)N(C)CCN.
What is the InChIKey of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is AWLLLQKMQUOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-11(18(2)10-9-17)3-4-12-5-7-13(8-6-12)19-14(15)16/h5-8,11,14H,3-4,9-10,17H2,1-2H3.
What are the key properties of N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine?
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 272.34 g/mol, XLogP of 2.50, 8 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]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62682370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).