N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

C15H26N2O2 — CID 54810062

IUPACN-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H26N2O2/c1-13(2)19-15-6-4-14(5-7-15)12-17-9-8-16-10-11-18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyQVEGXURYUIHCBI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds10

About N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54810062) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54810062
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCOCCNCCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H26N2O2/c1-13(2)19-15-6-4-14(5-7-15)12-17-9-8-16-10-11-18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyQVEGXURYUIHCBI-UHFFFAOYSA-N
XLogP1.80
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 54810062) is N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is COCCNCCNCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is QVEGXURYUIHCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2)19-15-6-4-14(5-7-15)12-17-9-8-16-10-11-18-3/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54810062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).