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

C12H17ClFNO — CID 68909692

IUPAC(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
SMILESCOc1ccc(CC/C(=C/F)CN)cc1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14;/h4-8H,2-3,9,14H2,1H3;1H/b11-8-;
InChIKeyWEZWPTRMXFMEQT-MKFZHGHUSA-N
MW245.73 g/mol
LogP2.86
Rot. Bonds5

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

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 68909692) has the molecular formula C12H17ClFNO and a molecular weight of 245.73 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
PubChem CID68909692
Molecular FormulaC12H17ClFNO
Molecular Weight245.73 g/mol
Exact Mass245.10
IUPAC Name(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
SMILESCOc1ccc(CC/C(=C/F)CN)cc1.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14;/h4-8H,2-3,9,14H2,1H3;1H/b11-8-;
InChIKeyWEZWPTRMXFMEQT-MKFZHGHUSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
CID 59029480
6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
CID 76997298
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
(2Z)-4-(4-butoxyphenyl)-2-(chloromethylidene)butan-1-amine;hydrochloride
CID 87224167
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride
CID 175784695

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride (CID 68909692) is (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride is COc1ccc(CC/C(=C/F)CN)cc1.Cl.
What is the InChIKey of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is WEZWPTRMXFMEQT-MKFZHGHUSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-15-12-6-4-10(5-7-12)2-3-11(8-13)9-14;/h4-8H,2-3,9,14H2,1H3;1H/b11-8-;.
What are the key properties of (2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride?
(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 245.73 g/mol, XLogP of 2.86, 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;hydrochloride is sourced from PubChem (CID 68909692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).