1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane

C18H35N3O4 — CID 145285909

IUPAC1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane
SMILESCC.CNC(N)c1ccc(OCCOCCOCCOCCN)cc1
InChIInChI=1S/C16H29N3O4.C2H6/c1-19-16(18)14-2-4-15(5-3-14)23-13-12-22-11-10-21-9-8-20-7-6-17;1-2/h2-5,16,19H,6-13,17-18H2,1H3;1-2H3
InChIKeyMQTYBDNOROJDNY-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.28
Rot. Bonds14

About 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane

1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane (PubChem CID 145285909) has the molecular formula C18H35N3O4 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane.

Molecular Properties

Compound Name1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane
PubChem CID145285909
Molecular FormulaC18H35N3O4
Molecular Weight357.50 g/mol
Exact Mass357.26
IUPAC Name1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane
SMILESCC.CNC(N)c1ccc(OCCOCCOCCOCCN)cc1
InChIInChI=1S/C16H29N3O4.C2H6/c1-19-16(18)14-2-4-15(5-3-14)23-13-12-22-11-10-21-9-8-20-7-6-17;1-2/h2-5,16,19H,6-13,17-18H2,1H3;1-2H3
InChIKeyMQTYBDNOROJDNY-UHFFFAOYSA-N
XLogP1.28
TPSA100.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 101191094
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
N-[4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]hydroxylamine
CID 177015138
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 171705519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane?
The IUPAC name of 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane (CID 145285909) is 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane.
What is the SMILES notation for 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane?
The canonical SMILES for 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane is CC.CNC(N)c1ccc(OCCOCCOCCOCCN)cc1.
What is the InChIKey of 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane?
The InChIKey is MQTYBDNOROJDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4.C2H6/c1-19-16(18)14-2-4-15(5-3-14)23-13-12-22-11-10-21-9-8-20-7-6-17;1-2/h2-5,16,19H,6-13,17-18H2,1H3;1-2H3.
What are the key properties of 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane?
1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane has a molecular weight of 357.50 g/mol, XLogP of 1.28, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-N'-methylmethanediamine;ethane is sourced from PubChem (CID 145285909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).