(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine

C14H22N2O — CID 63968014

IUPAC(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
SMILESCN(C)CCOc1ccc(/C=C/CCN)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-9H,4,10-12,15H2,1-2H3/b5-3+
InChIKeyYRZWTBMNOYSWLO-HWKANZROSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds7

About (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine

(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine (PubChem CID 63968014) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
PubChem CID63968014
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
SMILESCN(C)CCOc1ccc(/C=C/CCN)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-9H,4,10-12,15H2,1-2H3/b5-3+
InChIKeyYRZWTBMNOYSWLO-HWKANZROSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
CID 14425923
4-[4-(2-methoxyethoxy)phenyl]but-3-ene-1-thiol
CID 170478872
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172
benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
CID 169472519
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine?
The IUPAC name of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine (CID 63968014) is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine.
What is the SMILES notation for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine?
The canonical SMILES for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine is CN(C)CCOc1ccc(/C=C/CCN)cc1.
What is the InChIKey of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine?
The InChIKey is YRZWTBMNOYSWLO-HWKANZROSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-9H,4,10-12,15H2,1-2H3/b5-3+.
What are the key properties of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine?
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine is sourced from PubChem (CID 63968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).