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

C18H23NO2 — CID 28611814

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cc(CNCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C18H23NO2/c1-14(2)21-17-10-9-16(11-18(17)20-3)13-19-12-15-7-5-4-6-8-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyTYVSTHLPRMKCBI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds7

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

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 28611814) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
PubChem CID28611814
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1cc(CNCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C18H23NO2/c1-14(2)21-17-10-9-16(11-18(17)20-3)13-19-12-15-7-5-4-6-8-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyTYVSTHLPRMKCBI-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
CID 39371034
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632567
2-benzylsulfanyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132656144
4,4,4-trifluoro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 79037389
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (CID 28611814) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is COc1cc(CNCc2ccccc2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is TYVSTHLPRMKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)21-17-10-9-16(11-18(17)20-3)13-19-12-15-7-5-4-6-8-15/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 28611814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).