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

C16H28N2O — CID 55074388

IUPACN-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CCC)c1
InChIInChI=1S/C16H28N2O/c1-4-9-17-14-15-7-6-8-16(13-15)19-12-11-18(3)10-5-2/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyIXWWYJINPPDQSX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds10

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

N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 55074388) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID55074388
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CCC)c1
InChIInChI=1S/C16H28N2O/c1-4-9-17-14-15-7-6-8-16(13-15)19-12-11-18(3)10-5-2/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyIXWWYJINPPDQSX-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-methyl-1-methylsulfanyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 115987888
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine (CID 55074388) is N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCN(C)CCC)c1.
What is the InChIKey of N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is IXWWYJINPPDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-9-17-14-15-7-6-8-16(13-15)19-12-11-18(3)10-5-2/h6-8,13,17H,4-5,9-12,14H2,1-3H3.
What are the key properties of N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).