(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine

C15H22FN — CID 164887975

IUPAC(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(F)cc1)CCC
InChIInChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyOMWGLGDQTQCKOJ-AATRIKPKSA-N
MW235.35 g/mol
LogP3.96
Rot. Bonds7

About (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine

(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine (PubChem CID 164887975) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
PubChem CID164887975
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(F)cc1)CCC
InChIInChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyOMWGLGDQTQCKOJ-AATRIKPKSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]-propan-2-ylamino]acetic acid
CID 122044061
N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
CID 171148379
(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol
CID 133111240
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
N'-[3-(4-fluorophenyl)prop-2-enyl]-N'-methyl-1-phenylmethanediamine
CID 151263104
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
3-(4-fluorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731749
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine (CID 164887975) is (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine is CCCN(C/C=C/c1ccc(F)cc1)CCC.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The InChIKey is OMWGLGDQTQCKOJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine is sourced from PubChem (CID 164887975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).