1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine

C14H18FNO — CID 105033634

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO/c1-4-5-6-7-13(16-2)11-8-9-14(17-3)12(15)10-11/h1,8-10,13,16H,5-7H2,2-3H3
InChIKeyNFXRCNWEWAHOKY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.90
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine

1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine (PubChem CID 105033634) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
PubChem CID105033634
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO/c1-4-5-6-7-13(16-2)11-8-9-14(17-3)12(15)10-11/h1,8-10,13,16H,5-7H2,2-3H3
InChIKeyNFXRCNWEWAHOKY-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
5-(3-fluoro-4-methoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956141
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
CID 113374381
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine (CID 105033634) is 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine is C#CCCCC(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine?
The InChIKey is NFXRCNWEWAHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-5-6-7-13(16-2)11-8-9-14(17-3)12(15)10-11/h1,8-10,13,16H,5-7H2,2-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine is sourced from PubChem (CID 105033634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).