2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine

C18H22N2O — CID 114955052

IUPAC2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
SMILESCc1ccncc1CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H22N2O/c1-13-8-9-19-11-14(13)12-20-16-10-18(2,3)21-17-7-5-4-6-15(16)17/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyBGFKKOYZLQTUJA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.78
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine (PubChem CID 114955052) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
PubChem CID114955052
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
SMILESCc1ccncc1CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H22N2O/c1-13-8-9-19-11-14(13)12-20-16-10-18(2,3)21-17-7-5-4-6-15(16)17/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyBGFKKOYZLQTUJA-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
CID 80710353
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 106368879
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
2,2-dimethyl-N-[(1-propan-2-yltriazol-4-yl)methyl]-3,4-dihydrochromen-4-amine
CID 126804261
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine (CID 114955052) is 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine is Cc1ccncc1CNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine?
The InChIKey is BGFKKOYZLQTUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-9-19-11-14(13)12-20-16-10-18(2,3)21-17-7-5-4-6-15(16)17/h4-9,11,16,20H,10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114955052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).