3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine

C18H32N2O — CID 65487593

IUPAC3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-12-19-15(3)16(4)20(5)14(2)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyJMKSZXFKLKNEDU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.33
Rot. Bonds9

About 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine

3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine (PubChem CID 65487593) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
PubChem CID65487593
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-12-19-15(3)16(4)20(5)14(2)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyJMKSZXFKLKNEDU-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine (CID 65487593) is 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine is CCCNC(C)C(C)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine?
The InChIKey is JMKSZXFKLKNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-12-19-15(3)16(4)20(5)14(2)13-17-10-8-9-11-18(17)21-6/h8-11,14-16,19H,7,12-13H2,1-6H3.
What are the key properties of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine?
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 65487593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).