N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline

C18H23NO — CID 43672059

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-14(2)18(10-13)15(3)19-17-7-5-6-16(11-17)12-20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyMQXKWWKKDISXKL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline

N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline (PubChem CID 43672059) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
PubChem CID43672059
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-14(2)18(10-13)15(3)19-17-7-5-6-16(11-17)12-20-4/h5-11,15,19H,12H2,1-4H3
InChIKeyMQXKWWKKDISXKL-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-(methoxymethyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43778856
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 64686932
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43778869
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
CID 43672248
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672175
2-(2,5-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133164632
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
N-[1-(3-bromothiophen-2-yl)ethyl]-3-(methoxymethyl)aniline
CID 43778897

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline (CID 43672059) is N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline is COCc1cccc(NC(C)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline?
The InChIKey is MQXKWWKKDISXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-9-14(2)18(10-13)15(3)19-17-7-5-6-16(11-17)12-20-4/h5-11,15,19H,12H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline?
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).