1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine

C14H24N2O — CID 115203619

IUPAC1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1NCCCC(C)N
InChIInChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-4)16-7-5-6-12(3)15/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyDCBUNVLRHRCFCG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.85
Rot. Bonds6

About 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine

1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine (PubChem CID 115203619) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
PubChem CID115203619
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1NCCCC(C)N
InChIInChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-4)16-7-5-6-12(3)15/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyDCBUNVLRHRCFCG-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.85
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-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
CID 115203637
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
2-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
1-N-(5-chloro-4-methoxy-2-methylphenyl)butane-1,3-diamine
CID 115199013
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
CID 115128687

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine (CID 115203619) is 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine is COc1cc(C)cc(C)c1NCCCC(C)N.
What is the InChIKey of 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine?
The InChIKey is DCBUNVLRHRCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-4)16-7-5-6-12(3)15/h8-9,12,16H,5-7,15H2,1-4H3.
What are the key properties of 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine?
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 115203619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).