[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine

C10H18N4O — CID 163516444

IUPAC[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine
SMILESCc1ccc(CCN)cc1OC(N)(N)N
InChIInChI=1S/C10H18N4O/c1-7-2-3-8(4-5-11)6-9(7)15-10(12,13)14/h2-3,6H,4-5,11-14H2,1H3
InChIKeyDHEKPFKFBKGGNM-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.64
Rot. Bonds4

About [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine

[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine (PubChem CID 163516444) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine.

Molecular Properties

Compound Name[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine
PubChem CID163516444
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine
SMILESCc1ccc(CCN)cc1OC(N)(N)N
InChIInChI=1S/C10H18N4O/c1-7-2-3-8(4-5-11)6-9(7)15-10(12,13)14/h2-3,6H,4-5,11-14H2,1H3
InChIKeyDHEKPFKFBKGGNM-UHFFFAOYSA-N
XLogP-0.64
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
2-[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]ethanamine
CID 107171085
5-(2-aminoethyl)-2-methylaniline
CID 58409288
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine?
The IUPAC name of [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine (CID 163516444) is [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine.
What is the SMILES notation for [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine?
The canonical SMILES for [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine is Cc1ccc(CCN)cc1OC(N)(N)N.
What is the InChIKey of [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine?
The InChIKey is DHEKPFKFBKGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-2-3-8(4-5-11)6-9(7)15-10(12,13)14/h2-3,6H,4-5,11-14H2,1H3.
What are the key properties of [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine?
[5-(2-aminoethyl)-2-methylphenoxy]methanetriamine has a molecular weight of 210.28 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethyl)-2-methylphenoxy]methanetriamine is sourced from PubChem (CID 163516444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).