(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine

C12H16FNO — CID 59029480

IUPAC(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CC/C(=C/F)CN)cc1
InChIInChI=1S/C12H16FNO/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14/h4-8H,2-3,9,14H2,1H3/b11-8-
InChIKeyYFQCCBLFNCJNHN-FLIBITNWSA-N
MW209.26 g/mol
LogP2.44
Rot. Bonds5

About (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine (PubChem CID 59029480) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
PubChem CID59029480
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CC/C(=C/F)CN)cc1
InChIInChI=1S/C12H16FNO/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14/h4-8H,2-3,9,14H2,1H3/b11-8-
InChIKeyYFQCCBLFNCJNHN-FLIBITNWSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 68909692
6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
CID 76997298
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
(2Z)-4-(4-butoxyphenyl)-2-(chloromethylidene)butan-1-amine;hydrochloride
CID 87224167
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine (CID 59029480) is (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine is COc1ccc(CC/C(=C/F)CN)cc1.
What is the InChIKey of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine?
The InChIKey is YFQCCBLFNCJNHN-FLIBITNWSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14/h4-8H,2-3,9,14H2,1H3/b11-8-.
What are the key properties of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine?
(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 59029480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).