[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine

C15H19NO3 — CID 62485489

IUPAC[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCOc1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C15H19NO3/c1-2-8-17-13-3-5-14(6-4-13)19-11-15-12(10-16)7-9-18-15/h3-7,9H,2,8,10-11,16H2,1H3
InChIKeyRUQCHGBGICPURN-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.11
Rot. Bonds7

About [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine

[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62485489) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
PubChem CID62485489
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCOc1ccc(OCc2occc2CN)cc1
InChIInChI=1S/C15H19NO3/c1-2-8-17-13-3-5-14(6-4-13)19-11-15-12(10-16)7-9-18-15/h3-7,9H,2,8,10-11,16H2,1H3
InChIKeyRUQCHGBGICPURN-UHFFFAOYSA-N
XLogP3.11
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
CID 62454775
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
2,3-bis(propoxymethyl)furan
CID 141282327
[2-[(3-methoxy-3-methylbutoxy)methyl]furan-3-yl]methanamine
CID 106667874
[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62457289
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine
CID 81346323

Frequently Asked Questions

What is the IUPAC name of [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine (CID 62485489) is [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine is CCCOc1ccc(OCc2occc2CN)cc1.
What is the InChIKey of [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is RUQCHGBGICPURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-8-17-13-3-5-14(6-4-13)19-11-15-12(10-16)7-9-18-15/h3-7,9H,2,8,10-11,16H2,1H3.
What are the key properties of [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine?
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62485489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).