N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine

C17H30N2O — CID 62420374

IUPACN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
SMILESCCNCc1ccc(OCCN(C)CC(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-15(3)14-19(4)11-12-20-17-9-7-16(8-10-17)13-18-6-2/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyNIJLFDXLYMSSSZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds10

About N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine (PubChem CID 62420374) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
PubChem CID62420374
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
SMILESCCNCc1ccc(OCCN(C)CC(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-15(3)14-19(4)11-12-20-17-9-7-16(8-10-17)13-18-6-2/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyNIJLFDXLYMSSSZ-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

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Related Compounds

N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420375
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine (CID 62420374) is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine is CCNCc1ccc(OCCN(C)CC(C)CC)cc1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine?
The InChIKey is NIJLFDXLYMSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-15(3)14-19(4)11-12-20-17-9-7-16(8-10-17)13-18-6-2/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine?
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-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-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62420374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).