1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine

C14H19NO — CID 79179277

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCOc2ccccc21
InChIInChI=1S/C14H19NO/c1-10(2)14(15-3)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,12,14-15H,1,8-9H2,2-3H3
InChIKeyNEVNLCYDNUQLHK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.72
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine

1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79179277) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79179277
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCOc2ccccc21
InChIInChI=1S/C14H19NO/c1-10(2)14(15-3)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,12,14-15H,1,8-9H2,2-3H3
InChIKeyNEVNLCYDNUQLHK-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine (CID 79179277) is 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is NEVNLCYDNUQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)14(15-3)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,12,14-15H,1,8-9H2,2-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).