2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

C18H29F2N — CID 63507222

IUPAC2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C18H29F2N/c1-5-7-11-18(6-2,13-21-14(3)4)12-15-9-8-10-16(19)17(15)20/h8-10,14,21H,5-7,11-13H2,1-4H3
InChIKeyAGOQRSCKDPGGGJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP5.09
Rot. Bonds9

About 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine

2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (PubChem CID 63507222) has the molecular formula C18H29F2N and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
PubChem CID63507222
Molecular FormulaC18H29F2N
Molecular Weight297.43 g/mol
Exact Mass297.23
IUPAC Name2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C18H29F2N/c1-5-7-11-18(6-2,13-21-14(3)4)12-15-9-8-10-16(19)17(15)20/h8-10,14,21H,5-7,11-13H2,1-4H3
InChIKeyAGOQRSCKDPGGGJ-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66058296
2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63508262
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507912
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 114933559
2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine
CID 107053176

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine (CID 63507222) is 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CNC(C)C)Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is AGOQRSCKDPGGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N/c1-5-7-11-18(6-2,13-21-14(3)4)12-15-9-8-10-16(19)17(15)20/h8-10,14,21H,5-7,11-13H2,1-4H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine?
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63507222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).