1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

C15H23F2N — CID 115851763

IUPAC1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)(C)CC
InChIInChI=1S/C15H23F2N/c1-5-7-18-14(15(3,4)6-2)11-8-12(16)10-13(17)9-11/h8-10,14,18H,5-7H2,1-4H3
InChIKeyKXTYVMLSOMMZCJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds6

About 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 115851763) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID115851763
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)(C)CC
InChIInChI=1S/C15H23F2N/c1-5-7-18-14(15(3,4)6-2)11-8-12(16)10-13(17)9-11/h8-10,14,18H,5-7H2,1-4H3
InChIKeyKXTYVMLSOMMZCJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105142084

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 115851763) is 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1cc(F)cc(F)c1)C(C)(C)CC.
What is the InChIKey of 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is KXTYVMLSOMMZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-7-18-14(15(3,4)6-2)11-8-12(16)10-13(17)9-11/h8-10,14,18H,5-7H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 115851763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).