(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine

C17H25FN2O — CID 163923004

IUPAC(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine
SMILESC=CN/C(=C\CC)CN(c1cccc(OC)c1F)C(C)C
InChIInChI=1S/C17H25FN2O/c1-6-9-14(19-7-2)12-20(13(3)4)15-10-8-11-16(21-5)17(15)18/h7-11,13,19H,2,6,12H2,1,3-5H3/b14-9-
InChIKeyRCBGSXCBRAUOQY-ZROIWOOFSA-N
MW292.40 g/mol
LogP4.08
Rot. Bonds8

About (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine

(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine (PubChem CID 163923004) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine
PubChem CID163923004
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine
SMILESC=CN/C(=C\CC)CN(c1cccc(OC)c1F)C(C)C
InChIInChI=1S/C17H25FN2O/c1-6-9-14(19-7-2)12-20(13(3)4)15-10-8-11-16(21-5)17(15)18/h7-11,13,19H,2,6,12H2,1,3-5H3/b14-9-
InChIKeyRCBGSXCBRAUOQY-ZROIWOOFSA-N
XLogP4.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethenyl-1-(2-fluoro-3-methoxyphenyl)prop-1-en-2-amine
CID 153397663
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
CID 113388939
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine (CID 163923004) is (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine is C=CN/C(=C\CC)CN(c1cccc(OC)c1F)C(C)C.
What is the InChIKey of (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine?
The InChIKey is RCBGSXCBRAUOQY-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-6-9-14(19-7-2)12-20(13(3)4)15-10-8-11-16(21-5)17(15)18/h7-11,13,19H,2,6,12H2,1,3-5H3/b14-9-.
What are the key properties of (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine?
(Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine has a molecular weight of 292.40 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethenyl-1-N-(2-fluoro-3-methoxyphenyl)-1-N-propan-2-ylpent-2-ene-1,2-diamine is sourced from PubChem (CID 163923004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).