N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine

C16H28N2O2 — CID 62458587

IUPACN-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOCCN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-4-8-17-14-15-6-5-7-16(13-15)20-12-11-19-10-9-18(2)3/h5-7,13,17H,4,8-12,14H2,1-3H3
InChIKeyYGQZLPNMHNYTQQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds11

About N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine

N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62458587) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62458587
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOCCN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-4-8-17-14-15-6-5-7-16(13-15)20-12-11-19-10-9-18(2)3/h5-7,13,17H,4,8-12,14H2,1-3H3
InChIKeyYGQZLPNMHNYTQQ-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
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-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106206080
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-methyl-1-methylsulfanyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 115987888
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine (CID 62458587) is N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCOCCN(C)C)c1.
What is the InChIKey of N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is YGQZLPNMHNYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-8-17-14-15-6-5-7-16(13-15)20-12-11-19-10-9-18(2)3/h5-7,13,17H,4,8-12,14H2,1-3H3.
What are the key properties of N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62458587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).