[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine

C13H21NO2 — CID 43254178

IUPAC[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
SMILESCC(C)COCCOc1cccc(CN)c1
InChIInChI=1S/C13H21NO2/c1-11(2)10-15-6-7-16-13-5-3-4-12(8-13)9-14/h3-5,8,11H,6-7,9-10,14H2,1-2H3
InChIKeyYFBSYKWZDOMHOI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds7

About [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine

[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine (PubChem CID 43254178) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
PubChem CID43254178
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
SMILESCC(C)COCCOc1cccc(CN)c1
InChIInChI=1S/C13H21NO2/c1-11(2)10-15-6-7-16-13-5-3-4-12(8-13)9-14/h3-5,8,11H,6-7,9-10,14H2,1-2H3
InChIKeyYFBSYKWZDOMHOI-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
CID 103487057
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine (CID 43254178) is [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine is CC(C)COCCOc1cccc(CN)c1.
What is the InChIKey of [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The InChIKey is YFBSYKWZDOMHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)10-15-6-7-16-13-5-3-4-12(8-13)9-14/h3-5,8,11H,6-7,9-10,14H2,1-2H3.
What are the key properties of [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).