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

C16H28N2O — CID 81067727

IUPACN-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CCOCC)c1
InChIInChI=1S/C16H28N2O/c1-4-9-17-13-15-7-6-8-16(12-15)14-18(3)10-11-19-5-2/h6-8,12,17H,4-5,9-11,13-14H2,1-3H3
InChIKeyNHKYIBSBUMQAEB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.65
Rot. Bonds10

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

N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 81067727) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID81067727
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CCOCC)c1
InChIInChI=1S/C16H28N2O/c1-4-9-17-13-15-7-6-8-16(12-15)14-18(3)10-11-19-5-2/h6-8,12,17H,4-5,9-11,13-14H2,1-3H3
InChIKeyNHKYIBSBUMQAEB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 81064011
N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
CID 55070121
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-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 63690912
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 81067727) is N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1cccc(CN(C)CCOCC)c1.
What is the InChIKey of N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is NHKYIBSBUMQAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-9-17-13-15-7-6-8-16(12-15)14-18(3)10-11-19-5-2/h6-8,12,17H,4-5,9-11,13-14H2,1-3H3.
What are the key properties of N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 81067727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).