N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine

C22H29NO2 — CID 11393628

IUPACN-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESC=CC(C)c1c(CNCc2ccccc2)ccc(OC)c1OC(C)C
InChIInChI=1S/C22H29NO2/c1-6-17(4)21-19(15-23-14-18-10-8-7-9-11-18)12-13-20(24-5)22(21)25-16(2)3/h6-13,16-17,23H,1,14-15H2,2-5H3
InChIKeyBEUCVEHCPJUYRH-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.06
Rot. Bonds9

About N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine

N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 11393628) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
PubChem CID11393628
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESC=CC(C)c1c(CNCc2ccccc2)ccc(OC)c1OC(C)C
InChIInChI=1S/C22H29NO2/c1-6-17(4)21-19(15-23-14-18-10-8-7-9-11-18)12-13-20(24-5)22(21)25-16(2)3/h6-13,16-17,23H,1,14-15H2,2-5H3
InChIKeyBEUCVEHCPJUYRH-UHFFFAOYSA-N
XLogP5.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.06
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

N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66537469
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
CID 139066918
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
CID 70442931
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537508

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (CID 11393628) is N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is C=CC(C)c1c(CNCc2ccccc2)ccc(OC)c1OC(C)C.
What is the InChIKey of N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is BEUCVEHCPJUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-17(4)21-19(15-23-14-18-10-8-7-9-11-18)12-13-20(24-5)22(21)25-16(2)3/h6-13,16-17,23H,1,14-15H2,2-5H3.
What are the key properties of N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 339.48 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 11393628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).