(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine

C16H23NO4 — CID 99778884

IUPAC(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCCC1(C)OCCO1)C2
InChIInChI=1S/C16H23NO4/c1-16(20-8-9-21-16)6-7-17-13-10-12-4-3-5-14(18-2)15(12)19-11-13/h3-5,13,17H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyJWWQBFHTJMAMQI-ZDUSSCGKSA-N
MW293.36 g/mol
LogP1.74
Rot. Bonds5

About (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine

(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 99778884) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID99778884
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCCC1(C)OCCO1)C2
InChIInChI=1S/C16H23NO4/c1-16(20-8-9-21-16)6-7-17-13-10-12-4-3-5-14(18-2)15(12)19-11-13/h3-5,13,17H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyJWWQBFHTJMAMQI-ZDUSSCGKSA-N
XLogP1.74
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
3-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 42241202
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 42474783
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 92693113

Frequently Asked Questions

What is the IUPAC name of (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine (CID 99778884) is (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OC[C@@H](NCCC1(C)OCCO1)C2.
What is the InChIKey of (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JWWQBFHTJMAMQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(20-8-9-21-16)6-7-17-13-10-12-4-3-5-14(18-2)15(12)19-11-13/h3-5,13,17H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 293.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 99778884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).