2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine

C18H23NO — CID 63552372

IUPAC2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
SMILESCc1cc(Oc2ccccc2)ccc1CNCC(C)C
InChIInChI=1S/C18H23NO/c1-14(2)12-19-13-16-9-10-18(11-15(16)3)20-17-7-5-4-6-8-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyHTTRHNZPABOVLO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.53
Rot. Bonds6

About 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine

2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine (PubChem CID 63552372) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
PubChem CID63552372
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
SMILESCc1cc(Oc2ccccc2)ccc1CNCC(C)C
InChIInChI=1S/C18H23NO/c1-14(2)12-19-13-16-9-10-18(11-15(16)3)20-17-7-5-4-6-8-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyHTTRHNZPABOVLO-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63550899
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63551068
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine (CID 63552372) is 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine is Cc1cc(Oc2ccccc2)ccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine?
The InChIKey is HTTRHNZPABOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)12-19-13-16-9-10-18(11-15(16)3)20-17-7-5-4-6-8-17/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine?
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63552372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).