3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine

C14H22N2O — CID 105495103

IUPAC3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)(C)NCC1COc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-8-10-6-11-7-12(15)4-5-13(11)17-9-10/h4-5,7,10,16H,6,8-9,15H2,1-3H3
InChIKeyWPBBRCKXDFQVCD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.21
Rot. Bonds2

About 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine

3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine (PubChem CID 105495103) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
PubChem CID105495103
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)(C)NCC1COc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-8-10-6-11-7-12(15)4-5-13(11)17-9-10/h4-5,7,10,16H,6,8-9,15H2,1-3H3
InChIKeyWPBBRCKXDFQVCD-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.21
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

(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
CID 105459411
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105474259
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
CID 83853025
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
methyl 2-(6-chloro-3,4-dihydro-2H-chromen-3-yl)acetate
CID 102198272

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine (CID 105495103) is 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine is CC(C)(C)NCC1COc2ccc(N)cc2C1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is WPBBRCKXDFQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)16-8-10-6-11-7-12(15)4-5-13(11)17-9-10/h4-5,7,10,16H,6,8-9,15H2,1-3H3.
What are the key properties of 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine?
3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 234.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 105495103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).