2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

C17H30N2O — CID 62568221

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-6-16(7-2)18-12-14(3)19(4)13-15-9-8-10-17(11-15)20-5/h8-11,14,16,18H,6-7,12-13H2,1-5H3
InChIKeyOOMYXISIJSWRMN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds9

About 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 62568221) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID62568221
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-6-16(7-2)18-12-14(3)19(4)13-15-9-8-10-17(11-15)20-5/h8-11,14,16,18H,6-7,12-13H2,1-5H3
InChIKeyOOMYXISIJSWRMN-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N'-hydroxy-2-[(3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 76915706
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (CID 62568221) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is OOMYXISIJSWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-16(7-2)18-12-14(3)19(4)13-15-9-8-10-17(11-15)20-5/h8-11,14,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 62568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).