(3-ethoxyphenyl)methanetriamine

C9H15N3O — CID 142802456

IUPAC(3-ethoxyphenyl)methanetriamine
SMILESCCOc1cccc(C(N)(N)N)c1
InChIInChI=1S/C9H15N3O/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2,10-12H2,1H3
InChIKeyYQXPFYULBVSQQF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.07
Rot. Bonds3

About (3-ethoxyphenyl)methanetriamine

(3-ethoxyphenyl)methanetriamine (PubChem CID 142802456) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (3-ethoxyphenyl)methanetriamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)methanetriamine
PubChem CID142802456
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(3-ethoxyphenyl)methanetriamine
SMILESCCOc1cccc(C(N)(N)N)c1
InChIInChI=1S/C9H15N3O/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2,10-12H2,1H3
InChIKeyYQXPFYULBVSQQF-UHFFFAOYSA-N
XLogP0.07
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872809
(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
1-ethoxy-3-ethynylbenzene
CID 53434126
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
CID 177106556
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)methanetriamine?
The IUPAC name of (3-ethoxyphenyl)methanetriamine (CID 142802456) is (3-ethoxyphenyl)methanetriamine.
What is the SMILES notation for (3-ethoxyphenyl)methanetriamine?
The canonical SMILES for (3-ethoxyphenyl)methanetriamine is CCOc1cccc(C(N)(N)N)c1.
What is the InChIKey of (3-ethoxyphenyl)methanetriamine?
The InChIKey is YQXPFYULBVSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2,10-12H2,1H3.
What are the key properties of (3-ethoxyphenyl)methanetriamine?
(3-ethoxyphenyl)methanetriamine has a molecular weight of 181.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)methanetriamine is sourced from PubChem (CID 142802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).