N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine

C17H29N3O — CID 62438868

IUPACN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-3-8-18-15-16-6-4-5-7-17(16)21-14-13-20-11-9-19(2)10-12-20/h4-7,18H,3,8-15H2,1-2H3
InChIKeyLBEUKGMXOSYVRB-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.81
Rot. Bonds8

About N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine

N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62438868) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62438868
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCN1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-3-8-18-15-16-6-4-5-7-17(16)21-14-13-20-11-9-19(2)10-12-20/h4-7,18H,3,8-15H2,1-2H3
InChIKeyLBEUKGMXOSYVRB-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 63190777
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
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-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 79184613
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine (CID 62438868) is N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCN1CCN(C)CC1.
What is the InChIKey of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is LBEUKGMXOSYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-8-18-15-16-6-4-5-7-17(16)21-14-13-20-11-9-19(2)10-12-20/h4-7,18H,3,8-15H2,1-2H3.
What are the key properties of N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62438868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).