N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine

C15H26N2O — CID 14914753

IUPACN'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-16-11-7-3-4-8-12-17-13-14-9-5-6-10-15(14)18-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3
InChIKeyHVKXDWKXSVPKSI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds10

About N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine

N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine (PubChem CID 14914753) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
PubChem CID14914753
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-16-11-7-3-4-8-12-17-13-14-9-5-6-10-15(14)18-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3
InChIKeyHVKXDWKXSVPKSI-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
5-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine (CID 14914753) is N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine is CNCCCCCCNCc1ccccc1OC.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine?
The InChIKey is HVKXDWKXSVPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-11-7-3-4-8-12-17-13-14-9-5-6-10-15(14)18-2/h5-6,9-10,16-17H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine?
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine is sourced from PubChem (CID 14914753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).