N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline

C18H23NO — CID 54800496

IUPACN-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-18-10-6-9-17(14-18)19-12-11-16-8-5-4-7-15(16)2/h4-10,14,19H,3,11-13H2,1-2H3
InChIKeyHNWUXCDWXMPIOB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline

N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline (PubChem CID 54800496) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
PubChem CID54800496
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-18-10-6-9-17(14-18)19-12-11-16-8-5-4-7-15(16)2/h4-10,14,19H,3,11-13H2,1-2H3
InChIKeyHNWUXCDWXMPIOB-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
4-hexoxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54798890
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807495

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline (CID 54800496) is N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline is CCCOc1cccc(NCCc2ccccc2C)c1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline?
The InChIKey is HNWUXCDWXMPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-20-18-10-6-9-17(14-18)19-12-11-16-8-5-4-7-15(16)2/h4-10,14,19H,3,11-13H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline?
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline has a molecular weight of 269.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline is sourced from PubChem (CID 54800496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).