N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine

C17H28FNO — CID 104794616

IUPACN-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-6-8-13(12-19-17(2,3)4)11-14-9-7-10-15(20-5)16(14)18/h7,9-10,13,19H,6,8,11-12H2,1-5H3
InChIKeyXJQYABPKUWNBMZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.18
Rot. Bonds7

About N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine

N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 104794616) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
PubChem CID104794616
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC NameN-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-6-8-13(12-19-17(2,3)4)11-14-9-7-10-15(20-5)16(14)18/h7,9-10,13,19H,6,8,11-12H2,1-5H3
InChIKeyXJQYABPKUWNBMZ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
2-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 104794746
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine (CID 104794616) is N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine is CCCC(CNC(C)(C)C)Cc1cccc(OC)c1F.
What is the InChIKey of N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is XJQYABPKUWNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-8-13(12-19-17(2,3)4)11-14-9-7-10-15(20-5)16(14)18/h7,9-10,13,19H,6,8,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 104794616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).