(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

C13H19NO — CID 104945971

IUPAC(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1C[C@H](N)c2ccccc2O1
InChIInChI=1S/C13H19NO/c1-9(2)7-10-8-12(14)11-5-3-4-6-13(11)15-10/h3-6,9-10,12H,7-8,14H2,1-2H3/t10?,12-/m0/s1
InChIKeyXZIVDVSMURQKBR-KFJBMODSSA-N
MW205.30 g/mol
LogP2.88
Rot. Bonds2

About (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945971) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945971
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1C[C@H](N)c2ccccc2O1
InChIInChI=1S/C13H19NO/c1-9(2)7-10-8-12(14)11-5-3-4-6-13(11)15-10/h3-6,9-10,12H,7-8,14H2,1-2H3/t10?,12-/m0/s1
InChIKeyXZIVDVSMURQKBR-KFJBMODSSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946122
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946152
(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
CID 141093967
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945971) is (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CC1C[C@H](N)c2ccccc2O1.
What is the InChIKey of (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XZIVDVSMURQKBR-KFJBMODSSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)7-10-8-12(14)11-5-3-4-6-13(11)15-10/h3-6,9-10,12H,7-8,14H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).