1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine

C14H19F2NO — CID 103915785

IUPAC1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-10(12-6-4-7-13(15)14(12)16)17-9-11-5-2-3-8-18-11/h4,6-7,10-11,17H,2-3,5,8-9H2,1H3
InChIKeyCRIHNUJCYQQENS-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine

1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 103915785) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID103915785
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-10(12-6-4-7-13(15)14(12)16)17-9-11-5-2-3-8-18-11/h4,6-7,10-11,17H,2-3,5,8-9H2,1H3
InChIKeyCRIHNUJCYQQENS-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924783
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 103915785) is 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine is CC(NCC1CCCCO1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is CRIHNUJCYQQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(12-6-4-7-13(15)14(12)16)17-9-11-5-2-3-8-18-11/h4,6-7,10-11,17H,2-3,5,8-9H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 103915785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).