(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine

C14H19FN2O2 — CID 103093589

IUPAC(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19FN2O2/c1-4-7-16-11(3)10(2)8-12-5-6-13(15)14(9-12)17(18)19/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8+
InChIKeyMHUIMEUWGNEILZ-CSKARUKUSA-N
MW266.32 g/mol
LogP3.53
Rot. Bonds6

About (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine

(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093589) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093589
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19FN2O2/c1-4-7-16-11(3)10(2)8-12-5-6-13(15)14(9-12)17(18)19/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8+
InChIKeyMHUIMEUWGNEILZ-CSKARUKUSA-N
XLogP3.53
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
ethyl (Z)-3-(4-fluoro-3-nitrophenyl)-2-methylprop-2-enoate
CID 121002140
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
CID 13349118
1-fluoro-2-nitro-4-[(E)-2-nitroethenyl]benzene
CID 79015854
(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
(E)-4-(4-chloro-3-nitrophenyl)-3-methylbut-3-en-2-ol
CID 103091050
4-fluoro-N-(2-methylpentyl)-3-nitroaniline
CID 43719207

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093589) is (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is MHUIMEUWGNEILZ-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-7-16-11(3)10(2)8-12-5-6-13(15)14(9-12)17(18)19/h5-6,8-9,11,16H,4,7H2,1-3H3/b10-8+.
What are the key properties of (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 266.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).