3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine

C12H18N2O — CID 105459411

IUPAC3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
SMILESCCNCC1COc2cc(N)ccc2C1
InChIInChI=1S/C12H18N2O/c1-2-14-7-9-5-10-3-4-11(13)6-12(10)15-8-9/h3-4,6,9,14H,2,5,7-8,13H2,1H3
InChIKeyWZWZOBLWPDHQGX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds3

About 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine

3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine (PubChem CID 105459411) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
PubChem CID105459411
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
SMILESCCNCC1COc2cc(N)ccc2C1
InChIInChI=1S/C12H18N2O/c1-2-14-7-9-5-10-3-4-11(13)6-12(10)15-8-9/h3-4,6,9,14H,2,5,7-8,13H2,1H3
InChIKeyWZWZOBLWPDHQGX-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
CID 105495103
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105456601
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
CID 142228186
3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105473028
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
CID 82624519
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 11708657
4-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 72870091

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine (CID 105459411) is 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine is CCNCC1COc2cc(N)ccc2C1.
What is the InChIKey of 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is WZWZOBLWPDHQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-7-9-5-10-3-4-11(13)6-12(10)15-8-9/h3-4,6,9,14H,2,5,7-8,13H2,1H3.
What are the key properties of 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine?
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 206.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 105459411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).