N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine

C20H24FN — CID 122547632

IUPACN-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
SMILESCCCCN(C/C=C/c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN/c1-2-3-15-22(17-19-11-13-20(21)14-12-19)16-7-10-18-8-5-4-6-9-18/h4-14H,2-3,15-17H2,1H3/b10-7+
InChIKeySQONACBYEKGHGF-JXMROGBWSA-N
MW297.42 g/mol
LogP5.14
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine

N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine (PubChem CID 122547632) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
PubChem CID122547632
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
SMILESCCCCN(C/C=C/c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN/c1-2-3-15-22(17-19-11-13-20(21)14-12-19)16-7-10-18-8-5-4-6-9-18/h4-14H,2-3,15-17H2,1H3/b10-7+
InChIKeySQONACBYEKGHGF-JXMROGBWSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
CID 164887975
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
CID 155405754
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 160645499
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine (CID 122547632) is N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine is CCCCN(C/C=C/c1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine?
The InChIKey is SQONACBYEKGHGF-JXMROGBWSA-N. The full InChI is InChI=1S/C20H24FN/c1-2-3-15-22(17-19-11-13-20(21)14-12-19)16-7-10-18-8-5-4-6-9-18/h4-14H,2-3,15-17H2,1H3/b10-7+.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine?
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine is sourced from PubChem (CID 122547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).