N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine

C19H25NO2 — CID 39422668

IUPACN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(C)cc2)c1OC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)22-19-17(6-5-7-18(19)21-4)13-20-12-16-10-8-15(3)9-11-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyRNDUHUAUWAGJEW-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.08
Rot. Bonds7

About N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 39422668) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID39422668
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(C)cc2)c1OC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)22-19-17(6-5-7-18(19)21-4)13-20-12-16-10-8-15(3)9-11-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyRNDUHUAUWAGJEW-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]methanamine;hydrochloride
CID 47008068
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
2-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111469318
N'-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 17054664
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 39422668) is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine is COc1cccc(CNCc2ccc(C)cc2)c1OC(C)C.
What is the InChIKey of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is RNDUHUAUWAGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)22-19-17(6-5-7-18(19)21-4)13-20-12-16-10-8-15(3)9-11-16/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 299.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 39422668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).