2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline

C19H25NO2 — CID 54801636

IUPAC2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCCCCOc1ccccc1NCCc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-3-4-15-22-19-8-6-5-7-18(19)20-14-13-16-9-11-17(21-2)12-10-16/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyHGXIWKSUKWWCNV-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.53
Rot. Bonds9

About 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline

2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 54801636) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID54801636
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCCCCOc1ccccc1NCCc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-3-4-15-22-19-8-6-5-7-18(19)20-14-13-16-9-11-17(21-2)12-10-16/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyHGXIWKSUKWWCNV-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
4-(2-butoxyanilino)butan-1-ol
CID 54803446
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895416
[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol
CID 86745967

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline (CID 54801636) is 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline is CCCCOc1ccccc1NCCc1ccc(OC)cc1.
What is the InChIKey of 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is HGXIWKSUKWWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-4-15-22-19-8-6-5-7-18(19)20-14-13-16-9-11-17(21-2)12-10-16/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline?
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 54801636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).