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

C17H30N2O — CID 83042805

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-6-8-16(12-18-14(2)3)19(4)13-15-9-7-10-17(11-15)20-5/h7,9-11,14,16,18H,6,8,12-13H2,1-5H3
InChIKeyJRPPTMDZBXYFFS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds9

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

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83042805) 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-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID83042805
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-6-8-16(12-18-14(2)3)19(4)13-15-9-7-10-17(11-15)20-5/h7,9-11,14,16,18H,6,8,12-13H2,1-5H3
InChIKeyJRPPTMDZBXYFFS-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-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042926
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
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
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
CID 61420511
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71106716
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069640
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (CID 83042805) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine is CCCC(CNC(C)C)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is JRPPTMDZBXYFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-8-16(12-18-14(2)3)19(4)13-15-9-7-10-17(11-15)20-5/h7,9-11,14,16,18H,6,8,12-13H2,1-5H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-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-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83042805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).