N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine

C14H18FN — CID 115819786

IUPACN-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(C)cc1F
InChIInChI=1S/C14H18FN/c1-4-6-7-14(16-5-2)12-9-8-11(3)10-13(12)15/h8-10,14,16H,5,7H2,1-3H3
InChIKeyRGMGDYXQBPNSCR-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.20
Rot. Bonds4

About N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine

N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine (PubChem CID 115819786) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
PubChem CID115819786
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(C)cc1F
InChIInChI=1S/C14H18FN/c1-4-6-7-14(16-5-2)12-9-8-11(3)10-13(12)15/h8-10,14,16H,5,7H2,1-3H3
InChIKeyRGMGDYXQBPNSCR-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
CID 105112281
1-(2-fluoro-4-methylphenyl)-N-propylbut-3-yn-1-amine
CID 114977493
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474
N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
CID 105030020
1-(3-bromo-2-methylphenyl)-N-ethylpent-3-yn-1-amine
CID 115819466
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylpent-3-yn-1-amine
CID 115819252
1-(4-chloro-2,5-difluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037119
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine (CID 115819786) is N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine is CC#CCC(NCC)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine?
The InChIKey is RGMGDYXQBPNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-4-6-7-14(16-5-2)12-9-8-11(3)10-13(12)15/h8-10,14,16H,5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine?
N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine is sourced from PubChem (CID 115819786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).