3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine

C18H23N3O — CID 131944869

IUPAC3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1N
InChIInChI=1S/C18H23N3O/c1-12-6-7-14-15(10-18(2,3)22-16(14)9-12)21-11-13-5-4-8-20-17(13)19/h4-9,15,21H,10-11H2,1-3H3,(H2,19,20)
InChIKeyWTIDNVOAHKVCPM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds3

About 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine

3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine (PubChem CID 131944869) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine
PubChem CID131944869
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine
SMILESCc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1N
InChIInChI=1S/C18H23N3O/c1-12-6-7-14-15(10-18(2,3)22-16(14)9-12)21-11-13-5-4-8-20-17(13)19/h4-9,15,21H,10-11H2,1-3H3,(H2,19,20)
InChIKeyWTIDNVOAHKVCPM-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine with MolForge

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Related Compounds

2,2,7-trimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461781
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
2-(2-fluorophenyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637040
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
CID 91795887
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine (CID 131944869) is 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine is Cc1ccc2c(c1)OC(C)(C)CC2NCc1cccnc1N.
What is the InChIKey of 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine?
The InChIKey is WTIDNVOAHKVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-7-14-15(10-18(2,3)22-16(14)9-12)21-11-13-5-4-8-20-17(13)19/h4-9,15,21H,10-11H2,1-3H3,(H2,19,20).
What are the key properties of 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine?
3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 131944869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).