N-ethyl-2-(3-fluorophenyl)hexan-3-amine

C14H22FN — CID 83051952

IUPACN-ethyl-2-(3-fluorophenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-7-14(16-5-2)11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3
InChIKeyFBRUVVIZHPGOSA-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-2-(3-fluorophenyl)hexan-3-amine

N-ethyl-2-(3-fluorophenyl)hexan-3-amine (PubChem CID 83051952) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)hexan-3-amine
PubChem CID83051952
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-(3-fluorophenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-7-14(16-5-2)11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3
InChIKeyFBRUVVIZHPGOSA-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)pentan-3-amine
CID 79308586
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
CID 20642773
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 80605462
N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
CID 83051217
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)hexan-3-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)hexan-3-amine (CID 83051952) is N-ethyl-2-(3-fluorophenyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)hexan-3-amine is CCCC(NCC)C(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)hexan-3-amine?
The InChIKey is FBRUVVIZHPGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-7-14(16-5-2)11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)hexan-3-amine?
N-ethyl-2-(3-fluorophenyl)hexan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)hexan-3-amine is sourced from PubChem (CID 83051952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).