2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine

C14H21F2N — CID 114933368

IUPAC2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2N/c1-3-6-11(10-17-4-2)9-12-13(15)7-5-8-14(12)16/h5,7-8,11,17H,3-4,6,9-10H2,1-2H3
InChIKeyIHWKANJPBHFRSM-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds7

About 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine

2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine (PubChem CID 114933368) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
PubChem CID114933368
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2N/c1-3-6-11(10-17-4-2)9-12-13(15)7-5-8-14(12)16/h5,7-8,11,17H,3-4,6,9-10H2,1-2H3
InChIKeyIHWKANJPBHFRSM-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 114933374
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
CID 130392767
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
2-chloro-N-[(2,6-difluorophenyl)methyl]pentan-1-amine
CID 114934225

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine (CID 114933368) is 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine is CCCC(CNCC)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine?
The InChIKey is IHWKANJPBHFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-6-11(10-17-4-2)9-12-13(15)7-5-8-14(12)16/h5,7-8,11,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine?
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 114933368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).