(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol

C14H19FN2O — CID 175408463

IUPAC(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol
SMILESCC1CCc2cc(C(O)/C(=C\F)CN)ccc2N1
InChIInChI=1S/C14H19FN2O/c1-9-2-3-10-6-11(4-5-13(10)17-9)14(18)12(7-15)8-16/h4-7,9,14,17-18H,2-3,8,16H2,1H3/b12-7-
InChIKeyDZVVACAPSMDYEC-GHXNOFRVSA-N
MW250.32 g/mol
LogP2.28
Rot. Bonds3

About (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol

(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol (PubChem CID 175408463) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol
PubChem CID175408463
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol
SMILESCC1CCc2cc(C(O)/C(=C\F)CN)ccc2N1
InChIInChI=1S/C14H19FN2O/c1-9-2-3-10-6-11(4-5-13(10)17-9)14(18)12(7-15)8-16/h4-7,9,14,17-18H,2-3,8,16H2,1H3/b12-7-
InChIKeyDZVVACAPSMDYEC-GHXNOFRVSA-N
XLogP2.28
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol (CID 175408463) is (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol is CC1CCc2cc(C(O)/C(=C\F)CN)ccc2N1.
What is the InChIKey of (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol?
The InChIKey is DZVVACAPSMDYEC-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-2-3-10-6-11(4-5-13(10)17-9)14(18)12(7-15)8-16/h4-7,9,14,17-18H,2-3,8,16H2,1H3/b12-7-.
What are the key properties of (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol?
(Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(aminomethyl)-3-fluoro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)prop-2-en-1-ol is sourced from PubChem (CID 175408463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).