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

C14H24N2O — CID 83960655

IUPAC1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCc1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-3-4-8-13(15)11-16-10-12-7-5-6-9-14(12)17-2/h5-7,9,13,16H,3-4,8,10-11,15H2,1-2H3
InChIKeyQIIARJWSZHAURB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds8

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

1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine (PubChem CID 83960655) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
PubChem CID83960655
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCc1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-3-4-8-13(15)11-16-10-12-7-5-6-9-14(12)17-2/h5-7,9,13,16H,3-4,8,10-11,15H2,1-2H3
InChIKeyQIIARJWSZHAURB-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 91088877
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine (CID 83960655) is 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine is CCCCC(N)CNCc1ccccc1OC.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The InChIKey is QIIARJWSZHAURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-8-13(15)11-16-10-12-7-5-6-9-14(12)17-2/h5-7,9,13,16H,3-4,8,10-11,15H2,1-2H3.
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 83960655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).