1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine

C15H26N2O — CID 115203766

IUPAC1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1c(C)cc(N(C)CCCC(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-14(10-12(2)15(11)18-5)17(4)8-6-7-13(3)16/h9-10,13H,6-8,16H2,1-5H3
InChIKeyOVIIUXFMFZZLKO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.88
Rot. Bonds6

About 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine

1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 115203766) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID115203766
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1c(C)cc(N(C)CCCC(C)N)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-14(10-12(2)15(11)18-5)17(4)8-6-7-13(3)16/h9-10,13H,6-8,16H2,1-5H3
InChIKeyOVIIUXFMFZZLKO-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
CID 116925047
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199468
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine (CID 115203766) is 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine is COc1c(C)cc(N(C)CCCC(C)N)cc1C.
What is the InChIKey of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is OVIIUXFMFZZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-9-14(10-12(2)15(11)18-5)17(4)8-6-7-13(3)16/h9-10,13H,6-8,16H2,1-5H3.
What are the key properties of 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine?
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).