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

C14H24N2O — CID 542258

IUPACN'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
SMILESCOc1ccccc1CNCCCCCCN
InChIInChI=1S/C14H24N2O/c1-17-14-9-5-4-8-13(14)12-16-11-7-3-2-6-10-15/h4-5,8-9,16H,2-3,6-7,10-12,15H2,1H3
InChIKeyFLSYRUDBNQYGJQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds9

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

N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine (PubChem CID 542258) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
PubChem CID542258
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
SMILESCOc1ccccc1CNCCCCCCN
InChIInChI=1S/C14H24N2O/c1-17-14-9-5-4-8-13(14)12-16-11-7-3-2-6-10-15/h4-5,8-9,16H,2-3,6-7,10-12,15H2,1H3
InChIKeyFLSYRUDBNQYGJQ-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.30
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]-N-methylhexane-1,6-diamine
CID 14914753
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
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-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine (CID 542258) is N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine is COc1ccccc1CNCCCCCCN.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine?
The InChIKey is FLSYRUDBNQYGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-17-14-9-5-4-8-13(14)12-16-11-7-3-2-6-10-15/h4-5,8-9,16H,2-3,6-7,10-12,15H2,1H3.
What are the key properties of N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine?
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 542258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).