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

C15H26N2O — CID 62430800

IUPAC2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(C)c1cccc(OC)c1
InChIInChI=1S/C15H26N2O/c1-5-10-16-12-13(6-2)17(3)14-8-7-9-15(11-14)18-4/h7-9,11,13,16H,5-6,10,12H2,1-4H3
InChIKeyNLLVANBJXNYIKD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds8

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

2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 62430800) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
PubChem CID62430800
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(C)c1cccc(OC)c1
InChIInChI=1S/C15H26N2O/c1-5-10-16-12-13(6-2)17(3)14-8-7-9-15(11-14)18-4/h7-9,11,13,16H,5-6,10,12H2,1-4H3
InChIKeyNLLVANBJXNYIKD-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 62256771
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
CID 62002110
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 70530947
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine (CID 62430800) is 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine is CCCNCC(CC)N(C)c1cccc(OC)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is NLLVANBJXNYIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-10-16-12-13(6-2)17(3)14-8-7-9-15(11-14)18-4/h7-9,11,13,16H,5-6,10,12H2,1-4H3.
What are the key properties of 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine?
2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62430800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).