N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine

C19H23NO2 — CID 54847984

IUPACN-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
SMILESC=C(C)COc1ccc(CNCc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO2/c1-15(2)14-22-18-10-9-17(11-19(18)21-3)13-20-12-16-7-5-4-6-8-16/h4-11,20H,1,12-14H2,2-3H3
InChIKeyMBTCAXMKWIJTCN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.94
Rot. Bonds8

About N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine

N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 54847984) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID54847984
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
SMILESC=C(C)COc1ccc(CNCc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO2/c1-15(2)14-22-18-10-9-17(11-19(18)21-3)13-20-12-16-7-5-4-6-8-16/h4-11,20H,1,12-14H2,2-3H3
InChIKeyMBTCAXMKWIJTCN-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.94
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

1-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849084
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54855852
2-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetic acid
CID 102535724
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 119125453
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine (CID 54847984) is N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine is C=C(C)COc1ccc(CNCc2ccccc2)cc1OC.
What is the InChIKey of N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is MBTCAXMKWIJTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)14-22-18-10-9-17(11-19(18)21-3)13-20-12-16-7-5-4-6-8-16/h4-11,20H,1,12-14H2,2-3H3.
What are the key properties of N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 54847984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).