2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline

C18H23NO — CID 63505898

IUPAC2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1ccccc1NCCOc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-14(2)16-8-6-9-17(13-16)20-12-11-19-18-10-5-4-7-15(18)3/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyKRKAUOPILXAZIF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.61
Rot. Bonds6

About 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline

2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 63505898) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
PubChem CID63505898
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
SMILESCc1ccccc1NCCOc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-14(2)16-8-6-9-17(13-16)20-12-11-19-18-10-5-4-7-15(18)3/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyKRKAUOPILXAZIF-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline (CID 63505898) is 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline is Cc1ccccc1NCCOc1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is KRKAUOPILXAZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)16-8-6-9-17(13-16)20-12-11-19-18-10-5-4-7-15(18)3/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline?
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.61, 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-(3-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 63505898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).