[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine

C16H25NO3 — CID 103184853

IUPAC[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCOCCCOCCC1(CN)CCOc2ccccc21
InChIInChI=1S/C16H25NO3/c1-18-9-4-10-19-11-7-16(13-17)8-12-20-15-6-3-2-5-14(15)16/h2-3,5-6H,4,7-13,17H2,1H3
InChIKeyAHSWJTAAGPJNPY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds8

About [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine

[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 103184853) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID103184853
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCOCCCOCCC1(CN)CCOc2ccccc21
InChIInChI=1S/C16H25NO3/c1-18-9-4-10-19-11-7-16(13-17)8-12-20-15-6-3-2-5-14(15)16/h2-3,5-6H,4,7-13,17H2,1H3
InChIKeyAHSWJTAAGPJNPY-UHFFFAOYSA-N
XLogP2.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 106734060
[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 65407110
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408843
[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 79558252
[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408459
[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65407873
[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 107310651
[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65409422
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine (CID 103184853) is [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine is COCCCOCCC1(CN)CCOc2ccccc21.
What is the InChIKey of [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is AHSWJTAAGPJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-9-4-10-19-11-7-16(13-17)8-12-20-15-6-3-2-5-14(15)16/h2-3,5-6H,4,7-13,17H2,1H3.
What are the key properties of [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 103184853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).