N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine

C21H27NO2 — CID 86941425

IUPACN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine
SMILESC=CCc1cc(CNC(CC)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO2/c1-5-10-18-13-16(14-20(23-3)21(18)24-4)15-22-19(6-2)17-11-8-7-9-12-17/h5,7-9,11-14,19,22H,1,6,10,15H2,2-4H3
InChIKeyOZVNODZMJSANNQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.67
Rot. Bonds9

About N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine

N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 86941425) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID86941425
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine
SMILESC=CCc1cc(CNC(CC)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO2/c1-5-10-18-13-16(14-20(23-3)21(18)24-4)15-22-19(6-2)17-11-8-7-9-12-17/h5,7-9,11-14,19,22H,1,6,10,15H2,2-4H3
InChIKeyOZVNODZMJSANNQ-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-benzyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-amine
CID 101268335
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156385
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]butan-2-amine
CID 17213374
1-benzyl-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110953464
methyl 2-(2-chlorophenyl)-2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylamino]acetate
CID 86969856
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]propan-2-amine;hydrochloride
CID 17213427
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
CID 49367786
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
CID 126122280
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine (CID 86941425) is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine is C=CCc1cc(CNC(CC)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is OZVNODZMJSANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-10-18-13-16(14-20(23-3)21(18)24-4)15-22-19(6-2)17-11-8-7-9-12-17/h5,7-9,11-14,19,22H,1,6,10,15H2,2-4H3.
What are the key properties of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine?
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 325.45 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 86941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).