N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine

C14H22FN — CID 71052511

IUPACN-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
SMILESCCNC(CC)(CC)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-14(5-2,16-6-3)11-12-8-7-9-13(15)10-12/h7-10,16H,4-6,11H2,1-3H3
InChIKeyMBFRMEUKCSBTPU-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine

N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine (PubChem CID 71052511) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
PubChem CID71052511
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
SMILESCCNC(CC)(CC)Cc1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-4-14(5-2,16-6-3)11-12-8-7-9-13(15)10-12/h7-10,16H,4-6,11H2,1-3H3
InChIKeyMBFRMEUKCSBTPU-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine?
The IUPAC name of N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine (CID 71052511) is N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine.
What is the SMILES notation for N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine?
The canonical SMILES for N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine is CCNC(CC)(CC)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine?
The InChIKey is MBFRMEUKCSBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-14(5-2,16-6-3)11-12-8-7-9-13(15)10-12/h7-10,16H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine?
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine has a molecular weight of 223.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine is sourced from PubChem (CID 71052511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).