(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C14H21NO2 — CID 104946892

IUPAC(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCC1C[C@H](N)c2cc(OC)ccc2O1
InChIInChI=1S/C14H21NO2/c1-3-4-5-11-9-13(15)12-8-10(16-2)6-7-14(12)17-11/h6-8,11,13H,3-5,9,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyAOMLZRVAEIHMCT-YUZLPWPTSA-N
MW235.33 g/mol
LogP3.04
Rot. Bonds4

About (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946892) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946892
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCC1C[C@H](N)c2cc(OC)ccc2O1
InChIInChI=1S/C14H21NO2/c1-3-4-5-11-9-13(15)12-8-10(16-2)6-7-14(12)17-11/h6-8,11,13H,3-5,9,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyAOMLZRVAEIHMCT-YUZLPWPTSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829

Frequently Asked Questions

What is the IUPAC name of (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104946892) is (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCCCC1C[C@H](N)c2cc(OC)ccc2O1.
What is the InChIKey of (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AOMLZRVAEIHMCT-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-11-9-13(15)12-8-10(16-2)6-7-14(12)17-11/h6-8,11,13H,3-5,9,15H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 235.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).