N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine

C17H29N3O — CID 82888041

IUPACN-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-4-18-15(2)16-6-5-7-17(14-16)21-13-12-20-10-8-19(3)9-11-20/h5-7,14-15,18H,4,8-13H2,1-3H3
InChIKeyYZCGUZKSRDIAMF-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.98
Rot. Bonds7

About N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine

N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 82888041) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
PubChem CID82888041
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cccc(OCCN2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O/c1-4-18-15(2)16-6-5-7-17(14-16)21-13-12-20-10-8-19(3)9-11-20/h5-7,14-15,18H,4,8-13H2,1-3H3
InChIKeyYZCGUZKSRDIAMF-UHFFFAOYSA-N
XLogP1.98
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
1-[3-(3-butan-2-yloxyphenoxy)propyl]-4-methylpiperazine;hydrochloride
CID 2994067
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 176757504
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (CID 82888041) is N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is CCNC(C)c1cccc(OCCN2CCN(C)CC2)c1.
What is the InChIKey of N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is YZCGUZKSRDIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18-15(2)16-6-5-7-17(14-16)21-13-12-20-10-8-19(3)9-11-20/h5-7,14-15,18H,4,8-13H2,1-3H3.
What are the key properties of N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 82888041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).