3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine

C14H22FN — CID 61065370

IUPAC3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C14H22FN/c1-4-12(5-2)14(16-3)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,4-5,10H2,1-3H3
InChIKeyFGNNORPIOHISPP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.39
Rot. Bonds6

About 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine

3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine (PubChem CID 61065370) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
PubChem CID61065370
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C14H22FN/c1-4-12(5-2)14(16-3)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,4-5,10H2,1-3H3
InChIKeyFGNNORPIOHISPP-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-ethyl-1-(4-fluorophenyl)pentan-2-yl]hydrazine
CID 105198180
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724396
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
[1-(4-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105283723
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine (CID 61065370) is 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine is CCC(CC)C(Cc1ccc(F)cc1)NC.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine?
The InChIKey is FGNNORPIOHISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-12(5-2)14(16-3)10-11-6-8-13(15)9-7-11/h6-9,12,14,16H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine?
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 61065370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).