2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

C14H20F2N2O — CID 62988466

IUPAC2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(F)c(F)c2)CCCO1
InChIInChI=1S/C14H20F2N2O/c1-10-9-18(5-2-6-19-10)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,2,5-6,8-9,17H2,1H3
InChIKeyUEFURUIKOJJUQB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.08
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (PubChem CID 62988466) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
PubChem CID62988466
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(F)c(F)c2)CCCO1
InChIInChI=1S/C14H20F2N2O/c1-10-9-18(5-2-6-19-10)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,2,5-6,8-9,17H2,1H3
InChIKeyUEFURUIKOJJUQB-UHFFFAOYSA-N
XLogP2.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
CID 63968717
2-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 114487903
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-(4-cyclopropylphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 79984860
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
1-(4-fluorophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-amine
CID 62987204
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 62120808

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (CID 62988466) is 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is CC1CN(C(CN)c2ccc(F)c(F)c2)CCCO1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The InChIKey is UEFURUIKOJJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10-9-18(5-2-6-19-10)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,2,5-6,8-9,17H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine has a molecular weight of 270.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 62988466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).