N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine

C18H23NO — CID 63551068

IUPACN-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-13(2)19-12-16-8-9-18(11-15(16)4)20-17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeyIPRIZNYKPNIRJR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.59
Rot. Bonds5

About N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine

N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63551068) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID63551068
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-13(2)19-12-16-8-9-18(11-15(16)4)20-17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3
InChIKeyIPRIZNYKPNIRJR-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
1-iodo-2-methyl-4-(3-methylphenoxy)benzene
CID 135130038
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine (CID 63551068) is N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1cccc(Oc2ccc(CNC(C)C)c(C)c2)c1.
What is the InChIKey of N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is IPRIZNYKPNIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)19-12-16-8-9-18(11-15(16)4)20-17-7-5-6-14(3)10-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).