N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine

C14H24N2O — CID 106450820

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
SMILESCCCOCCN(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H24N2O/c1-3-8-17-9-7-16(2)12-14-6-4-5-13(10-14)11-15/h4-6,10H,3,7-9,11-12,15H2,1-2H3
InChIKeyNBKAHRRPJYWOPF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds8

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine (PubChem CID 106450820) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
PubChem CID106450820
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
SMILESCCCOCCN(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H24N2O/c1-3-8-17-9-7-16(2)12-14-6-4-5-13(10-14)11-15/h4-6,10H,3,7-9,11-12,15H2,1-2H3
InChIKeyNBKAHRRPJYWOPF-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
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

ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
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CID 104563895
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine (CID 106450820) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine is CCCOCCN(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine?
The InChIKey is NBKAHRRPJYWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-17-9-7-16(2)12-14-6-4-5-13(10-14)11-15/h4-6,10H,3,7-9,11-12,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 106450820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).