4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline

C18H32N2O — CID 84754251

IUPAC4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
SMILESCCCCNCc1ccc(N(CCC)CCC)c(OC)c1
InChIInChI=1S/C18H32N2O/c1-5-8-11-19-15-16-9-10-17(18(14-16)21-4)20(12-6-2)13-7-3/h9-10,14,19H,5-8,11-13,15H2,1-4H3
InChIKeyOARNBGSCBMKGJQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.21
Rot. Bonds11

About 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline

4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline (PubChem CID 84754251) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline.

Molecular Properties

Compound Name4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
PubChem CID84754251
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
SMILESCCCCNCc1ccc(N(CCC)CCC)c(OC)c1
InChIInChI=1S/C18H32N2O/c1-5-8-11-19-15-16-9-10-17(18(14-16)21-4)20(12-6-2)13-7-3/h9-10,14,19H,5-8,11-13,15H2,1-4H3
InChIKeyOARNBGSCBMKGJQ-UHFFFAOYSA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
3-[[4-[butyl(ethyl)amino]-3-methoxyphenyl]methylamino]propanoic acid
CID 84754298
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
N-[(4-methoxy-3-methylsulfanylphenyl)methyl]butan-1-amine
CID 115625509
3-butoxy-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 17207562
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755

Frequently Asked Questions

What is the IUPAC name of 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline?
The IUPAC name of 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline (CID 84754251) is 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline.
What is the SMILES notation for 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline?
The canonical SMILES for 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline is CCCCNCc1ccc(N(CCC)CCC)c(OC)c1.
What is the InChIKey of 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline?
The InChIKey is OARNBGSCBMKGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-8-11-19-15-16-9-10-17(18(14-16)21-4)20(12-6-2)13-7-3/h9-10,14,19H,5-8,11-13,15H2,1-4H3.
What are the key properties of 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline?
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline has a molecular weight of 292.47 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline is sourced from PubChem (CID 84754251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).