N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline

C18H32N2O — CID 84748737

IUPACN-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCCCN(CC)c1ccc(CNC(C)C)cc1OCC
InChIInChI=1S/C18H32N2O/c1-6-9-12-20(7-2)17-11-10-16(14-19-15(4)5)13-18(17)21-8-3/h10-11,13,15,19H,6-9,12,14H2,1-5H3
InChIKeyOUYMQQNKGOYNMA-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.21
Rot. Bonds10

About N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline

N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 84748737) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID84748737
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCCCN(CC)c1ccc(CNC(C)C)cc1OCC
InChIInChI=1S/C18H32N2O/c1-6-9-12-20(7-2)17-11-10-16(14-19-15(4)5)13-18(17)21-8-3/h10-11,13,15,19H,6-9,12,14H2,1-5H3
InChIKeyOUYMQQNKGOYNMA-UHFFFAOYSA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
3-[2-ethoxy-N-methyl-4-[(propan-2-ylamino)methyl]anilino]propanoic acid
CID 84749807
N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
CID 84754296
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
(2R)-N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 100555543
2-bromo-N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 114062678
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81107013

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline (CID 84748737) is N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline is CCCCN(CC)c1ccc(CNC(C)C)cc1OCC.
What is the InChIKey of N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is OUYMQQNKGOYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-9-12-20(7-2)17-11-10-16(14-19-15(4)5)13-18(17)21-8-3/h10-11,13,15,19H,6-9,12,14H2,1-5H3.
What are the key properties of N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline?
N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 292.47 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxy-N-ethyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 84748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).