N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine

C15H26N2O — CID 162214464

IUPACN-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccccc1OCCCN
InChIInChI=1S/C15H26N2O/c1-3-4-11-17(2)13-14-8-5-6-9-15(14)18-12-7-10-16/h5-6,8-9H,3-4,7,10-13,16H2,1-2H3
InChIKeyZTGZCJSBZNCXTK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds9

About N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine

N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine (PubChem CID 162214464) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
PubChem CID162214464
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccccc1OCCCN
InChIInChI=1S/C15H26N2O/c1-3-4-11-17(2)13-14-8-5-6-9-15(14)18-12-7-10-16/h5-6,8-9H,3-4,7,10-13,16H2,1-2H3
InChIKeyZTGZCJSBZNCXTK-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
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

N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine (CID 162214464) is N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccccc1OCCCN.
What is the InChIKey of N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine?
The InChIKey is ZTGZCJSBZNCXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-11-17(2)13-14-8-5-6-9-15(14)18-12-7-10-16/h5-6,8-9H,3-4,7,10-13,16H2,1-2H3.
What are the key properties of N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine?
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 162214464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).