3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline

C17H21NO — CID 43196055

IUPAC3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCCc1cccc(NC(C)c2cccc(OC)c2)c1
InChIInChI=1S/C17H21NO/c1-4-14-7-5-9-16(11-14)18-13(2)15-8-6-10-17(12-15)19-3/h5-13,18H,4H2,1-3H3
InChIKeyPECSYVKVQJESKM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.43
Rot. Bonds5

About 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline

3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 43196055) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID43196055
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCCc1cccc(NC(C)c2cccc(OC)c2)c1
InChIInChI=1S/C17H21NO/c1-4-14-7-5-9-16(11-14)18-13(2)15-8-6-10-17(12-15)19-3/h5-13,18H,4H2,1-3H3
InChIKeyPECSYVKVQJESKM-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
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CID 43099352
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
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3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 43196055) is 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline is CCc1cccc(NC(C)c2cccc(OC)c2)c1.
What is the InChIKey of 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is PECSYVKVQJESKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-7-5-9-16(11-14)18-13(2)15-8-6-10-17(12-15)19-3/h5-13,18H,4H2,1-3H3.
What are the key properties of 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline?
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43196055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).