2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine

C17H23N3O — CID 104629206

IUPAC2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCn1ccc(CCNC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-17(2)12-15(14-6-4-5-7-16(14)21-17)18-10-8-13-9-11-20(3)19-13/h4-7,9,11,15,18H,8,10,12H2,1-3H3
InChIKeyMPAFMUDKLWKMAJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.85
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine (PubChem CID 104629206) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
PubChem CID104629206
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCn1ccc(CCNC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-17(2)12-15(14-6-4-5-7-16(14)21-17)18-10-8-13-9-11-20(3)19-13/h4-7,9,11,15,18H,8,10,12H2,1-3H3
InChIKeyMPAFMUDKLWKMAJ-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81141012
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103901632
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104651117
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
2,2-dimethyl-N-[(1-propan-2-yltriazol-4-yl)methyl]-3,4-dihydrochromen-4-amine
CID 126804261
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine (CID 104629206) is 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine is Cn1ccc(CCNC2CC(C)(C)Oc3ccccc32)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine?
The InChIKey is MPAFMUDKLWKMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)12-15(14-6-4-5-7-16(14)21-17)18-10-8-13-9-11-20(3)19-13/h4-7,9,11,15,18H,8,10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104629206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).