N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C18H33N3O — CID 84754259

IUPACN-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCCN(CCC)c1ccc(CNCCN(C)C)cc1OC
InChIInChI=1S/C18H33N3O/c1-6-11-21(12-7-2)17-9-8-16(14-18(17)22-5)15-19-10-13-20(3)4/h8-9,14,19H,6-7,10-13,15H2,1-5H3
InChIKeyBFXZYCHGSVHHRR-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.97
Rot. Bonds11

About N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 84754259) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID84754259
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCCN(CCC)c1ccc(CNCCN(C)C)cc1OC
InChIInChI=1S/C18H33N3O/c1-6-11-21(12-7-2)17-9-8-16(14-18(17)22-5)15-19-10-13-20(3)4/h8-9,14,19H,6-7,10-13,15H2,1-5H3
InChIKeyBFXZYCHGSVHHRR-UHFFFAOYSA-N
XLogP2.97
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294648
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
3-[[4-[butyl(ethyl)amino]-3-methoxyphenyl]methylamino]propanoic acid
CID 84754298
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
N-[(3-bromo-4-propoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 29241395

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 84754259) is N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CCCN(CCC)c1ccc(CNCCN(C)C)cc1OC.
What is the InChIKey of N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BFXZYCHGSVHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-6-11-21(12-7-2)17-9-8-16(14-18(17)22-5)15-19-10-13-20(3)4/h8-9,14,19H,6-7,10-13,15H2,1-5H3.
What are the key properties of N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 307.48 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 84754259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).