N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine

C17H30N2O — CID 62420921

IUPACN,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN(C)CC(C)C
InChIInChI=1S/C17H30N2O/c1-5-10-18-13-16-8-6-7-9-17(16)20-12-11-19(4)14-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyJMEKTOIDRVSYCM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds10

About N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine

N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine (PubChem CID 62420921) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
PubChem CID62420921
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN(C)CC(C)C
InChIInChI=1S/C17H30N2O/c1-5-10-18-13-16-8-6-7-9-17(16)20-12-11-19(4)14-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyJMEKTOIDRVSYCM-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62426739
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine (CID 62420921) is N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine is CCCNCc1ccccc1OCCN(C)CC(C)C.
What is the InChIKey of N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine?
The InChIKey is JMEKTOIDRVSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-10-18-13-16-8-6-7-9-17(16)20-12-11-19(4)14-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine?
N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine is sourced from PubChem (CID 62420921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).