5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine

C16H28N2O3 — CID 103389254

IUPAC5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
SMILESCOCCOc1cc(C)ccc1NC(CCCN)COC
InChIInChI=1S/C16H28N2O3/c1-13-6-7-15(16(11-13)21-10-9-19-2)18-14(12-20-3)5-4-8-17/h6-7,11,14,18H,4-5,8-10,12,17H2,1-3H3
InChIKeyYWTGJORPKXFJGJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.19
Rot. Bonds11

About 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine

5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine (PubChem CID 103389254) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
PubChem CID103389254
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
SMILESCOCCOc1cc(C)ccc1NC(CCCN)COC
InChIInChI=1S/C16H28N2O3/c1-13-6-7-15(16(11-13)21-10-9-19-2)18-14(12-20-3)5-4-8-17/h6-7,11,14,18H,4-5,8-10,12,17H2,1-3H3
InChIKeyYWTGJORPKXFJGJ-UHFFFAOYSA-N
XLogP2.19
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
CID 103388767
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine (CID 103389254) is 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine is COCCOc1cc(C)ccc1NC(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine?
The InChIKey is YWTGJORPKXFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13-6-7-15(16(11-13)21-10-9-19-2)18-14(12-20-3)5-4-8-17/h6-7,11,14,18H,4-5,8-10,12,17H2,1-3H3.
What are the key properties of 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine has a molecular weight of 296.41 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine is sourced from PubChem (CID 103389254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).