2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine

C18H22N2O — CID 82461781

IUPAC2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCc1ccncc1
InChIInChI=1S/C18H22N2O/c1-13-4-5-15-16(11-18(2,3)21-17(15)10-13)20-12-14-6-8-19-9-7-14/h4-10,16,20H,11-12H2,1-3H3
InChIKeyIWGRUROCEWJTBP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.78
Rot. Bonds3

About 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine

2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine (PubChem CID 82461781) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
PubChem CID82461781
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCc1ccncc1
InChIInChI=1S/C18H22N2O/c1-13-4-5-15-16(11-18(2,3)21-17(15)10-13)20-12-14-6-8-19-9-7-14/h4-10,16,20H,11-12H2,1-3H3
InChIKeyIWGRUROCEWJTBP-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

3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine
CID 131944869
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
1-(3-methylphenyl)-3-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719206
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590455

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine (CID 82461781) is 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine is Cc1ccc2c(c1)OC(C)(C)CC2NCc1ccncc1.
What is the InChIKey of 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is IWGRUROCEWJTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-4-5-15-16(11-18(2,3)21-17(15)10-13)20-12-14-6-8-19-9-7-14/h4-10,16,20H,11-12H2,1-3H3.
What are the key properties of 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine?
2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-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 2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82461781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).