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

C17H30N2O — CID 62437342

IUPAC2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1ccccc1OC
InChIInChI=1S/C17H30N2O/c1-6-11-18-12-16(14(2)3)19(4)13-15-9-7-8-10-17(15)20-5/h7-10,14,16,18H,6,11-13H2,1-5H3
InChIKeyHFIIRDIDEVXJJK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds9

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

2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 62437342) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
PubChem CID62437342
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1ccccc1OC
InChIInChI=1S/C17H30N2O/c1-6-11-18-12-16(14(2)3)19(4)13-15-9-7-8-10-17(15)20-5/h7-10,14,16,18H,6,11-13H2,1-5H3
InChIKeyHFIIRDIDEVXJJK-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070832
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453642
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63490527

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine (CID 62437342) is 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine is CCCNCC(C(C)C)N(C)Cc1ccccc1OC.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is HFIIRDIDEVXJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-11-18-12-16(14(2)3)19(4)13-15-9-7-8-10-17(15)20-5/h7-10,14,16,18H,6,11-13H2,1-5H3.
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine?
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62437342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).