2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine

C17H30N2O — CID 62424640

IUPAC2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)CCOc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)19(6)11-12-20-16-9-7-15(8-10-16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyBJQCSNQDJVEMLI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds7

About 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62424640) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62424640
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)CCOc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)19(6)11-12-20-16-9-7-15(8-10-16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyBJQCSNQDJVEMLI-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine
CID 55006989
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 62421672
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine (CID 62424640) is 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine is CC(C)N(C)CCOc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is BJQCSNQDJVEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)19(6)11-12-20-16-9-7-15(8-10-16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62424640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).