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

C15H24FNO — CID 113453859

IUPACN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CNCC)Cc1cccc(OC)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-12(11-17-5-2)10-13-8-6-9-14(18-3)15(13)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3
InChIKeyPEBQECYMEGGMHW-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.40
Rot. Bonds8

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

N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 113453859) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
PubChem CID113453859
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CNCC)Cc1cccc(OC)c1F
InChIInChI=1S/C15H24FNO/c1-4-7-12(11-17-5-2)10-13-8-6-9-14(18-3)15(13)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3
InChIKeyPEBQECYMEGGMHW-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 104794616
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine (CID 113453859) is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine is CCCC(CNCC)Cc1cccc(OC)c1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is PEBQECYMEGGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-7-12(11-17-5-2)10-13-8-6-9-14(18-3)15(13)16/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine?
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 113453859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).