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

C18H32N2O — CID 66453642

IUPAC1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-12-19-15(2)18(3,4)14-20(5)13-16-10-8-9-11-17(16)21-6/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyHFPMNIJNZKYCQT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds9

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

1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 66453642) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
PubChem CID66453642
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-7-12-19-15(2)18(3,4)14-20(5)13-16-10-8-9-11-17(16)21-6/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyHFPMNIJNZKYCQT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452352
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
CID 62277579
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
CID 62043369
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine (CID 66453642) is 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)Cc1ccccc1OC.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is HFPMNIJNZKYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-12-19-15(2)18(3,4)14-20(5)13-16-10-8-9-11-17(16)21-6/h8-11,15,19H,7,12-14H2,1-6H3.
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine?
1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66453642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).