1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine

C14H21F2N — CID 79444981

IUPAC1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)C(C)CC
InChIInChI=1S/C14H21F2N/c1-4-10(3)14(17-5-2)8-11-6-12(15)9-13(16)7-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyKVOTYPRFTJBJCK-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine

1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 79444981) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID79444981
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)C(C)CC
InChIInChI=1S/C14H21F2N/c1-4-10(3)14(17-5-2)8-11-6-12(15)9-13(16)7-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyKVOTYPRFTJBJCK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 105409747
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-(3,5-difluorophenyl)-2-methylpentan-3-amine
CID 105404557
1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
CID 105406994
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105412950

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine (CID 79444981) is 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine is CCNC(Cc1cc(F)cc(F)c1)C(C)CC.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is KVOTYPRFTJBJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-10(3)14(17-5-2)8-11-6-12(15)9-13(16)7-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine?
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 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-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 79444981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).