1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine

C14H21F2NO — CID 114982290

IUPAC1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO/c1-3-6-13(17-9-4-2)11-7-5-8-12(10-11)18-14(15)16/h5,7-8,10,13-14,17H,3-4,6,9H2,1-2H3
InChIKeyGGJUJHBGUROZPU-UHFFFAOYSA-N
MW257.32 g/mol
LogP4.13
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine

1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine (PubChem CID 114982290) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
PubChem CID114982290
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO/c1-3-6-13(17-9-4-2)11-7-5-8-12(10-11)18-14(15)16/h5,7-8,10,13-14,17H,3-4,6,9H2,1-2H3
InChIKeyGGJUJHBGUROZPU-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-en-1-amine
CID 104987785
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine (CID 114982290) is 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine is CCCNC(CCC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine?
The InChIKey is GGJUJHBGUROZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-6-13(17-9-4-2)11-7-5-8-12(10-11)18-14(15)16/h5,7-8,10,13-14,17H,3-4,6,9H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine?
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine is sourced from PubChem (CID 114982290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).