4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline

C19H34N2O — CID 84750211

IUPAC4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC(C)C)cc1OC(C)C
InChIInChI=1S/C19H34N2O/c1-7-11-21(12-8-2)18-10-9-17(14-20-15(3)4)13-19(18)22-16(5)6/h9-10,13,15-16,20H,7-8,11-12,14H2,1-6H3
InChIKeyIJJPMWXFNIFFAP-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.60
Rot. Bonds10

About 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline

4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline (PubChem CID 84750211) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
PubChem CID84750211
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC(C)C)cc1OC(C)C
InChIInChI=1S/C19H34N2O/c1-7-11-21(12-8-2)18-10-9-17(14-20-15(3)4)13-19(18)22-16(5)6/h9-10,13,15-16,20H,7-8,11-12,14H2,1-6H3
InChIKeyIJJPMWXFNIFFAP-UHFFFAOYSA-N
XLogP4.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.60
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-[(propan-2-ylamino)methyl]aniline
CID 84748737
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
CID 84750306
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
3-[2-fluoro-5-[(propan-2-ylamino)methyl]-N-propylanilino]propanoic acid
CID 84754015

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline?
The IUPAC name of 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline (CID 84750211) is 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline is CCCN(CCC)c1ccc(CNC(C)C)cc1OC(C)C.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline?
The InChIKey is IJJPMWXFNIFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-7-11-21(12-8-2)18-10-9-17(14-20-15(3)4)13-19(18)22-16(5)6/h9-10,13,15-16,20H,7-8,11-12,14H2,1-6H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline?
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline has a molecular weight of 306.49 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline is sourced from PubChem (CID 84750211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).