2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine

C18H23NO2 — CID 81140827

IUPAC2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCc1ccc(C(C)NC2CC(C)(C)Oc3ccccc32)o1
InChIInChI=1S/C18H23NO2/c1-12-9-10-16(20-12)13(2)19-15-11-18(3,4)21-17-8-6-5-7-14(15)17/h5-10,13,15,19H,11H2,1-4H3
InChIKeyBKFWZIINBKBMDQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.54
Rot. Bonds3

About 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine (PubChem CID 81140827) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
PubChem CID81140827
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCc1ccc(C(C)NC2CC(C)(C)Oc3ccccc32)o1
InChIInChI=1S/C18H23NO2/c1-12-9-10-16(20-12)13(2)19-15-11-18(3,4)21-17-8-6-5-7-14(15)17/h5-10,13,15,19H,11H2,1-4H3
InChIKeyBKFWZIINBKBMDQ-UHFFFAOYSA-N
XLogP4.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103905314
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149018
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine (CID 81140827) is 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine is Cc1ccc(C(C)NC2CC(C)(C)Oc3ccccc32)o1.
What is the InChIKey of 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine?
The InChIKey is BKFWZIINBKBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-9-10-16(20-12)13(2)19-15-11-18(3,4)21-17-8-6-5-7-14(15)17/h5-10,13,15,19H,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.54, 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-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81140827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).