N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine

C22H29NO2 — CID 2934924

IUPACN-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
SMILESCC=Cc1ccc(OCCCCN(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C22H29NO2/c1-4-10-19-13-14-21(22(17-19)24-3)25-16-9-8-15-23(2)18-20-11-6-5-7-12-20/h4-7,10-14,17H,8-9,15-16,18H2,1-3H3
InChIKeyQKDSSYZNTLJPGR-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.02
Rot. Bonds10

About N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine

N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine (PubChem CID 2934924) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
PubChem CID2934924
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
SMILESCC=Cc1ccc(OCCCCN(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C22H29NO2/c1-4-10-19-13-14-21(22(17-19)24-3)25-16-9-8-15-23(2)18-20-11-6-5-7-12-20/h4-7,10-14,17H,8-9,15-16,18H2,1-3H3
InChIKeyQKDSSYZNTLJPGR-UHFFFAOYSA-N
XLogP5.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
CID 55703546
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
1-benzyl-4-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]piperazine;oxalic acid
CID 2977131
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine?
The IUPAC name of N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine (CID 2934924) is N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine.
What is the SMILES notation for N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine?
The canonical SMILES for N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine is CC=Cc1ccc(OCCCCN(C)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine?
The InChIKey is QKDSSYZNTLJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-10-19-13-14-21(22(17-19)24-3)25-16-9-8-15-23(2)18-20-11-6-5-7-12-20/h4-7,10-14,17H,8-9,15-16,18H2,1-3H3.
What are the key properties of N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine?
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 2934924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).