N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine

C18H23NO — CID 62454693

IUPACN-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
SMILESCNCC(Oc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)16-10-7-11-17(12-16)20-18(13-19-3)15-8-5-4-6-9-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeyPQJQPGCBGQPOSC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds6

About N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine

N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine (PubChem CID 62454693) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
PubChem CID62454693
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
SMILESCNCC(Oc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)16-10-7-11-17(12-16)20-18(13-19-3)15-8-5-4-6-9-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeyPQJQPGCBGQPOSC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116803622
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine (CID 62454693) is N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine is CNCC(Oc1cccc(C(C)C)c1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine?
The InChIKey is PQJQPGCBGQPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)16-10-7-11-17(12-16)20-18(13-19-3)15-8-5-4-6-9-15/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine?
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 62454693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).