1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine

C14H21F2N — CID 79411536

IUPAC1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-5-6-14(17-10(2)3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyAEZFNGUIWBZJHP-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.19
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine

1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79411536) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
PubChem CID79411536
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-5-6-14(17-10(2)3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyAEZFNGUIWBZJHP-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine
CID 123522068
1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79412449
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
CID 79411882
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(3-bromo-5-fluorophenyl)decylhydrazine
CID 105238624
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine (CID 79411536) is 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine is CCCCC(NC(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is AEZFNGUIWBZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-5-6-14(17-10(2)3)11-7-12(15)9-13(16)8-11/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine?
1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 4.19, 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)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79411536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).