1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine

C19H25NO — CID 43221696

IUPAC1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25NO/c1-5-21-18-10-8-17(9-11-18)13-20-16(4)19-12-14(2)6-7-15(19)3/h6-12,16,20H,5,13H2,1-4H3
InChIKeyDAYBRIKWYWGELR-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.55
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine

1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 43221696) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
PubChem CID43221696
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25NO/c1-5-21-18-10-8-17(9-11-18)13-20-16(4)19-12-14(2)6-7-15(19)3/h6-12,16,20H,5,13H2,1-4H3
InChIKeyDAYBRIKWYWGELR-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 64686932
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
2-[1-[(3-ethoxyphenyl)methylamino]ethyl]-4-methylphenol
CID 60873911
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine (CID 43221696) is 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine is CCOc1ccc(CNC(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is DAYBRIKWYWGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-21-18-10-8-17(9-11-18)13-20-16(4)19-12-14(2)6-7-15(19)3/h6-12,16,20H,5,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43221696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).