2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline

C18H23NO — CID 43109686

IUPAC2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)15(3)19-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyASSQODXCKUHCLX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.96
Rot. Bonds6

About 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline

2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline (PubChem CID 43109686) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
PubChem CID43109686
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
SMILESCCCOc1ccc(C(C)Nc2ccccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)15(3)19-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyASSQODXCKUHCLX-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 107630254
2-bromo-3-chloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 103478542
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
CID 104955808
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline (CID 43109686) is 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline is CCCOc1ccc(C(C)Nc2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline?
The InChIKey is ASSQODXCKUHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13-20-17-11-9-16(10-12-17)15(3)19-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline?
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43109686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).