N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine

C18H32N2O — CID 105347567

IUPACN-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(CCNC)cc1
InChIInChI=1S/C18H32N2O/c1-5-18(6-2)20(13-14-21-4)15-17-9-7-16(8-10-17)11-12-19-3/h7-10,18-19H,5-6,11-15H2,1-4H3
InChIKeyGFLAYCWSRAAIJT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.09
Rot. Bonds11

About N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine

N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine (PubChem CID 105347567) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
PubChem CID105347567
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1ccc(CCNC)cc1
InChIInChI=1S/C18H32N2O/c1-5-18(6-2)20(13-14-21-4)15-17-9-7-16(8-10-17)11-12-19-3/h7-10,18-19H,5-6,11-15H2,1-4H3
InChIKeyGFLAYCWSRAAIJT-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N-(2-methoxyethyl)-N-methyl-4-[2-(methylamino)ethyl]aniline
CID 148951067
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
1-methoxy-N-(2-methoxyethyl)-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-2-amine
CID 115463997
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine (CID 105347567) is N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine is CCC(CC)N(CCOC)Cc1ccc(CCNC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine?
The InChIKey is GFLAYCWSRAAIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-18(6-2)20(13-14-21-4)15-17-9-7-16(8-10-17)11-12-19-3/h7-10,18-19H,5-6,11-15H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine?
N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine has a molecular weight of 292.47 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine is sourced from PubChem (CID 105347567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).